# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-18T17:40:56+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 19 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000029","7.82927","0.00007","7.82927","0.00007","5.70757","0.00006","90","","90","","120","","303","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Yttrium alumosilicate nitrogen oxide *","","- Al2.7 N15.1 O0.9 Si9.3 Y0.5 -","- Al2.76 N15.04 O0.96 Si9.24 Y0.544 -","- Al2.76 N15.04 O0.96 Si9.24 Y0.544 -","1","0.166667","","Izumi, F.; Mitomo, M.; Bando, Y.","Rietveld refinements for calcium and yttrium containing α-sialons","Journal of Materials Science","1984","19","9","3115","3120","10.1007/BF01026991","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","200129","2020-10-21","18:00:00",""
"1000048","7.685","0.0004","7.685","0.0004","5.0636","0.0003","90","","90","","90","","299.1","","","","","","","","","","annealed at 1250 C for 2 d","","synthetic, glas annealed at 1250 C for 2 d","4","P -4 21 m","P -4 2ab","113","","Dicalcium aluminium alumosilicate","Gehlenite","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Swainson, I P; Dove, M T; Schmahl, W W; Putnis, A","Neutron Diffraction Study of the Akermanite-Gehlenite Solid Solution Series","Physics and Chemistry of Minerals (Germany)","1992","19","","185","195","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000125","5.0424","0.0001","5.0424","0.0001","6.1564","0.0001","90","","90","","90","","156.5","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - II","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000126","5.0431","0.0001","5.0431","0.0001","6.1567","0.0001","90","","90","","90","","156.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - II","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.0311","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000127","5.0432","0.0001","5.0432","0.0001","6.1573","0.0001","90","","90","","90","","156.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - I","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.0458","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000180","9.017","0.004","5.013","0.002","9.841","0.004","90","","90","","90","","444.8","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Trilithium iron(III) antimonate","","- Fe Li3 O8 Sb2 -","- Fe Li3 O8 Sb2 -","- Fe3 Li9 O24 Sb6 -","3","0.375","","Lacorre, P; Hervieu, M; Raveau, B","Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~","Materials Research Bulletin","1984","19","","693","699","10.1016/0025-5408(84)90024-2","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000404","7.472","0.001","10.928","0.001","6.606","0.002","90","","90","","90","","539.4","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0568","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000405","7.469","0.001","10.927","0.001","6.602","0.002","90","","90","","90","","538.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0651","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000406","7.47","0.001","10.93","0.001","6.603","0.001","90","","90","","90","","539.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0417","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001027","9.153","0.004","9.153","0.004","12.066","0.008","90","","90","","120","","875.4","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Potassium niobium oxide (3/8/21)","","- K3 Nb8 O21 -","- K3 Nb8 O21 -","- K6 Nb16 O42 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001028","9.107","0.004","9.107","0.004","12.011","0.008","90","","90","","120","","862.7","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Tripotassium heptaniobium titanium oxide","","- K3 Nb7 O21 Ti -","- K3 Nb7 O21 Ti -","- K6 Nb14 O42 Ti2 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001029","9.04","0.004","9.04","0.004","11.767","0.008","90","","90","","120","","832.8","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Tribarium tetraniobium tetratitanium oxide","","- Ba3 Nb4 O21 Ti4 -","- Ba3 Nb4 O21 Ti4 -","- Ba6 Nb8 O42 Ti8 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001196","5.005","0.001","5.005","0.001","10.452","0.002","90","","90","","90","","261.8","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","Trizirconium germanium oxide","","- Ge O8 Zr3 -","- Ge O8 Zr3 -","- Ge2 O16 Zr6 -","2","0.125","","Ennaciri, A; Michel, D; Perez y Jorba, M; Pannetier, J","Neutron Diffraction Determination of the Structure of an Ordered Scheelite - Type: Zr~3~ Ge O~8~","Materials Research Bulletin","1984","19","","793","799","10.1016/0025-5408(84)90037-0","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001318","4.466","0.003","4.466","0.003","7.302","0.008","90","","90","","120","","126.1","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","tricadmium arsenide triiodide","","- As0.5 Cd1.5 I1.5 -","- As0.5 Cd1.5 I1.5 -","- As0.5 Cd1.5 I1.5 -","1","0.0833333","","Rebbah, A.; Yazbeck, J.; Deschanvres, A.","Etude structurale des composes Cd~3~YX~3~ (Y=As, P; X=Cl, Br, I)","Revue de Chimie Minerale","1981","19","","43","53","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1001319","4.422","0.009","4.422","0.009","7.24","0.01","90","","90","","120","","122.6","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","tricadmium phosphide triiodide","","- Cd1.5 I1.5 P0.5 -","- Cd1.5 I1.5 P0.5 -","- Cd1.5 I1.5 P0.5 -","1","0.0833333","","Rebbah, A.; Yazbeck, J.; Deschanvres, A.","Etude structurale des composes Cd~3~YX~3~ (Y=As, P; X=Cl, Br, I)","Revue de Chimie Minerale","1981","19","","43","53","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1008071","13.967","0.006","8.472","0.004","7.51","0.003","90","","90.54","0.05","90","","888.6","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Uranium(IV) iodide","","- I4 U -","- I4 U -","- I16 U4 -","4","0.5","","Levy, J H; Taylor, J C; Waugh, A B","Crystal Structure of Uranium(IV) Tetraiodide by X-ray and Neutron Diffraction","Inorganic Chemistry","1980","19","","672","674","10.1021/ic50205a019","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008119","2.934","","2.934","","5.194","","90","","90","","90","","44.7","","","","","","","","","","","","","3","P 42/m m c","-P 4c 2","131","","Copper platinum(II) oxide (.8/.2/1)","","- Cu0.8 O Pt0.2 -","- Cu0.8 O Pt0.2 -","- Cu1.6 O2 Pt0.4 -","2","0.125","","Muller, O; Roy, R","Two new ternary copper-platinum oxides","Journal of the Less-Common Metals","1969","19","","209","214","10.1016/0022-5088(69)90097-6","","","","","","0.201","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008163","7.46","0.001","6.191","0.001","9.348","0.001","90","","116.63","0.01","90","","385.9","","","","","","","","","","","","","3","A 1 2 1","A 2y","5","","Trilead vanadate - α","","- O8 Pb3 V2 -","- O8 Pb3 V2 -","- O16 Pb6 V4 -","2","0.5","","Garnier, P.; Calvarin, G.; Berar, J. F.; Weigel, D.","Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la Maille Cristalline de la Phase α Ferroelectrique Basse Temperature","Materials Research Bulletin","1984","19","4","407","414","10.1016/0025-5408(84)90099-0","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","200138","2020-10-21","18:00:00",""
"1008164","7.514","0.001","6.107","0.001","9.526","0.001","90","","115.2","0.01","90","","395.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trilead vanadate - β","","- O8 Pb3 V2 -","- O8 Pb3 V2 -","- O16 Pb6 V4 -","2","0.5","","Garnier, P.; Calvarin, G.; Berar, J. F.; Weigel, D.","Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la Maille Cristalline de la Phase α Ferroelectrique Basse Temperature","Materials Research Bulletin","1984","19","4","407","414","10.1016/0025-5408(84)90099-0","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","200138","2020-10-21","18:00:00",""
"1008170","5.205","0.001","5.205","0.001","13.236","0.002","90","","90","","120","","310.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Dimagnesium nickel","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008171","5.205","0.001","5.205","0.001","13.236","0.002","90","","90","","120","","310.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Dimagnesium nickel","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008172","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Deuterium magnesium nickel (0.3/2/1) - $-alpha","","- D0.3 Mg2 Ni -","- D0.345 Mg2 Ni -","- D2.07 Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008192","7.359","0.001","7.359","0.001","7.359","0.001","90","","90","","90","","398.5","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Thorium tricopper dimanganese(III) dimanganese(IV) oxide","","- Cu3 Mn4 O12 Th -","- Cu3 Mn4 O12 Th -","- Cu6 Mn8 O24 Th2 -","2","0.0416667","","Deschizeaux, M N; Loubert, J C; Vegas, A; Collomb, A; Chenavas, J; Marezio, M","Synthetis and crystal structure of (Th Cu~3~) ((Mn~2~)^3+^ (Mn~2~)^4+^) O~12~, a new ferrimagnetic Perovskite-like compound","Journal of Solid State Chemistry","1976","19","","45","51","10.1016/0022-4596(76)90148-1","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008269","13.197","","6.403","","6.489","","90","","93.23","","90","","547.5","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Magnesium nickel hydride (2/1/4)","","- H4 Mg2 Ni -","- H4.0002 Mg2 Ni -","- H32.0016 Mg16 Ni8 -","8","2","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~Ni-H~2~ III- la variete monoclinique de Mg~2~ Ni H~4~","Materials Research Bulletin","1984","19","","1119","1128","10.1016/0025-5408(84)90061-8","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008374","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.25","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008375","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008376","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008377","6.7192","0.0001","6.7192","0.0001","5.6188","0.0001","90","","90","","120","","219.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba2 S6 V2 -","2","0.0833333","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008843","6.5247","0.0003","6.5247","0.0003","6.5247","0.0003","90","","90","","90","","277.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dimagnesium nickel tetradeuteride","","- D4 Mg2 Ni -","- D4.002 Mg2 Ni -","- D16.008 Mg8 Ni4 -","4","0.0208333","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B; Hagenmuller, P","Etude structurale du systeme Mg2 Ni - H2: II - La variete haute temperature de Mg2 Ni H4 de symetrie cubique","Materials Research Bulletin","1984","19","","969","978","10.1016/0025-5408(84)90209-5","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010302","4.15","0.01","4.15","0.01","4.15","0.01","90","","90","","90","","71.5","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Calcium boride (1/6)","","- B6 Ca -","- B6 Ca -","- B6 Ca -","1","0.0208333","","Stackelberg, M von; Neumann, F","Die Kristallstruktur der Boride der Zusammensetzung Me B~6~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1932","19","","314","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100063","3.8089","0.0001","3.8089","0.0001","3.8089","0.0001","90","","90","","90","","55.2584","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Magnesium Carbon Nickel (1/1/3)","","- C Mg Ni3 -","- C Mg Ni3 -","- C Mg Ni3 -","1","0.0208333","","Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M","Debye temperature of the MgCNi~3~ superconductor","Chin. Phys. Lett","2002","19","","249","251","10.1088/0256-307X/19/2/334","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100308","11.907","0.003","8.094","0.002","14.868","0.005","90","","90.03","0.05","90","","1432.91","","","","","","","","","","","","","3","P 21/n","","14","","","","- C16 H24 O2 -","","","4","","","Tietze, Lutz-F.; von Kiedrowski, Günter; Harms, Klaus; Clegg, William; Sheldrick, George","Stereocontrolled Intramolecular Diels-Alder Reaction of Heterodienes; Studies on the Synthesis of Cannabinoids","Angewandte Chemie, International Edition in English","1980","19","2","134","135","10.1002/anie.198001341","","","","","","","","","","","","","","","","","","","","","","176971","2020-10-21","18:00:00",""
"1100649","15.625","0.004","23.028","0.006","7.685","0.002","90","","90","","90","","2765","1","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 F3 N3 -","- C15 H14 F3 N3 -","- C120 H112 F24 N24 -","8","1","","Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai","Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x1","x2","10.2116/analscix.19.x1","","","0.7107","MoKα","","","0.0486","","","","0.0701","","","","","","0.979","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100650","14.21","0.01","6.28","0.01","8.73","0.01","90","","90","","90","","778","2","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Azumaya, Isao; Okamoto, Iwao; Takayanagi, Hiroaki","Spontaneous Optical Resolution of 1,2-Bis(formylamino)benzene in Crystals","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x3","x4","10.2116/analscix.19.x3","","","1.5418","CuKα","","","0.0606","","","","0.0984","","","","","","1.307","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100651","4.373","0.002","10.654","0.006","20.05","0.01","90","","92.92","0.02","90","","933.2","0.9","116","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F4 N2 -","- C9 H6 F4 N2 -","- C36 H24 F16 N8 -","4","1","","Ryoichi, Nakagaki; Shigeru, Kohtani; Yuko, Nakamura; Michiyo, Okamura; Soh-ichi, Kitoh; Ko-Ki, Kunimoto","Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x5","x6","10.2116/analscix.19.x5","","","0.7107","MoKα","","","0.0726","","","","0.089","","","","","","1.631","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100652","14.5558","0.0005","30.2416","0.0006","6.2872","0.0003","90","","90","","90","","2767.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 O3 -","- C28 H50 O3 -","- C112 H200 O12 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of 7-α-hydroxycholesterol","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x7","x8","10.2116/analscix.19.x7","","","1.5418","CuKα","","","0.0676","","","","0.1447","","","","","","1.546","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100653","10.214","0.001","12.734","0.005","16.062","0.002","84.74","0.02","87.84","0.01","75.77","0.02","2016.2","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H54 O9 -","- C44 H54 O9 -","- C88 H108 O18 -","2","1","","Guillon, Jean; Leger, Jean-Michel; Sonnet, Pascal; Jarry, Christian","Crystal Structure of 25-(2-tert-Butoxyethoxy)-27-hydroxycalix[4]arene-crown-6 in the Cone Conformation","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x9","x10","10.2116/analscix.19.x9","","","1.54178","CuKα","","0.1052","0.088","","","0.2599","0.2807","","","","","","1.069","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100654","8.4053","0.0006","22.1236","0.0016","17.1548","0.0012","90","","100.903","0.001","90","","3132.4","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazin-yl)-1,8-naphthyridine-3-carboxylic acid","","- C31 H44 F2 N8 O10 -","- C31 F2 N8 O10 -","- C124 F8 N32 O40 -","4","1","","Yoon, I.; Park, K.-M.; Bark, K.-M.; Yang, M. S.; Lee, S. S.","Crystal Structure of a Fluoroquinolone Antibiotic, Enoxacin","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x11","x12","10.2116/analscix.19.x11","","","","","","","0.0683","","","0.224","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100655","15.878","0.004","22.125","0.005","7.9029","0.0019","90","","90","","90","","2776.3","1.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H17 N5 -","- C14 H17 N5 -","- C112 H136 N40 -","8","1","","Hansongnern, Kanidtha; Tempiam, Sansanee; Liou, Jian-Cheng; Liao, Fen-Ling; Lu, Tian-Huey","Crystal Structure of 2-(4'-N,N-Diethylaminophenylazo)pyrimidine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x13","x14","10.2116/analscix.19.x13","","","0.71073","MoKα","","0.1696","0.0595","","","0.1081","0.1253","","","","","","0.822","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100656","10.104","0.002","32.447","0.001","6.014","0.001","90","","90","","90","","1971.7","0.5","123.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","2","","Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki","Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x15","x16","10.2116/analscix.19.x15","","","0.7107","MoKα","","","0.0268","","","","0.0398","","","","","","1.115","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100657","27.238","0.004","6.0517","0.0008","11.726","0.003","90","","99.433","0.001","90","","1906.7","0.6","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","1","","Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki","Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x15","x16","10.2116/analscix.19.x15","","","0.7107","MoKα","","","0.0279","","","","0.0341","","","","","","0.93","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100658","7.251","","13.195","0.001","9.835","0.001","90","","101.94","","90","","920.62","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","imidazole","2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde","","- C8 H11 Cl N2 O -","- C8 H11 Cl N2 O -","- C32 H44 Cl4 N8 O4 -","4","1","","Doreswamy, Beeranahally H.; Basappa; Mahendra, Madegowda; Mantelingu, Kempegowda; Anandalwar, Sridhar M.; Prasad, Javaregowda S.; Rangappa, Kanchugarakoppal S.","Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x31","x32","10.2116/analscix.19.x31","","x-ray","0.71073","MoKα","","0.0798","0.0651","","","0.189","0.2167","","","","","","1.064","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100659","13.409","0.0005","13.409","0.0005","13.81","0.0004","90","","90","","90","","2483.1","0.1","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","Tetrathiourea Copper (II) chloride","Tetrathiourea Copper (II) chloride","","- C3 H12 Cl Cu N6 S3 -","- C3 Cl Cu N6 S3 -","- C24 Cl8 Cu8 N48 S24 -","8","1","","Lakshmi, S.; Sridhar, M. A.; Prasad, J. S.; Srinivasan, V.; Kandhaswamy, M. A.; Dhandapani, M.","Synthesis and Structural Analysis of Tetrathioureacopper(I) Chloride","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x19","x20","10.2116/analscix.19.x19","","","","","","","0.0362","","","","","","","","","","","","","","has coordinates","175113","2020-10-21","18:00:00",""
"1100660","26.0133","0.0006","26.0133","0.0006","15.898","0.0008","90","","90","","90","","10758","0.6","293.1","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C26 H41 N3 O5 -","- C26 H41 N3 O5 -","- C416 H656 N48 O80 -","16","1","","Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Ciclopirox Olamine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x21","x22","10.2116/analscix.19.x21","","","1.5419","CuKα","","","0.068","","","","0.141","","","","","","1.293","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100661","8.279","0.001","14.843","0.002","5.959","0.001","97.02","0.01","102.75","0.01","100.52","0.01","692.05","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Aygün, Muhittin; Akkus, Nilgün; Güven, Kutalmş; Akgüngör, Kadir","Crystal Structure of 4-Ethoxy-N-(o-hydroxyacetophenolidene)aniline","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x23","x24","10.2116/analscix.19.x23","","","0.71069","MoKα","","0.1198","0.0411","","","0.1169","0.1595","","","","","","1.009","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100662","10.0901","0.0006","11.776","0.0007","18.82","0.0007","74.054","0.002","81.034","0.003","88.4315","0.0007","2123.6","0.2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","2","","Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Ketotifen Fumarate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x25","x26","10.2116/analscix.19.x25","","","1.5418","CuKα","","","0.068","","","","0.172","","","","","","0.97","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100663","13.5608","0.0008","7.2782","0.0009","8.6423","0.0005","90","","90","","90","","853","0.1","293.2","","","","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C16 H24 Cl N3 S Zn -","- C16 H24 Cl N3 S Zn -","- C32 H48 Cl2 N6 S2 Zn2 -","2","0.5","","Kurosaki, Hiromasa; Tawada, Toshiaki; Kawasoe, Satomi; Ohashi, Yoko; Goto, Masafumi","Crystal Structure of Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x27","x28","10.2116/analscix.19.x27","","","0.7107","MoKα","","","0.0534","","","","0.0308","","","","","","320.49","","","","has coordinates","175153","2020-10-21","18:00:00",""
"1100664","5.882","0.0005","12.104","0.0005","30.58","0.003","90","","90","","90","","2177.2","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S.","Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x29","x30","10.2116/analscix.19.x29","","x-ray","0.71073","MoKα","","0.0786","0.059","","","0.1965","0.2227","","","","","","1.057","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100666","7.916","0.001","15.736","0.002","8.737","0.0008","90","","108.11","0.006","90","","1034.4","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Mahendra, Madegowda; Doreswamy, Beeranahally H.; Sridhar, Mandayam A.; Prasad, Javaregowda S.; Narodia, Vishal P.; Naliapara, Yogesh T.; Shah, Anamik","Crystal Structure of Ethyl-2H-1-benzopyran-2-oxo-3-carboxylate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x33","x34","10.2116/analscix.19.x33","","x-ray","0.71073","MoKα","","0.0902","0.0696","","","0.1966","0.2325","","","","","","1.111","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100667","17.202","0.002","7.9139","0.0009","16.507","0.003","90","","94.716","0.009","90","","2239.5","0.5","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","1","","Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Dichlorphenamide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x35","x36","10.2116/analscix.19.x35","","","1.5419","CuKα","","","0.037","","","","0.091","","","","","","1.093","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100668","7.6961","0.0003","14.6036","0.0005","10.4355","0.0005","90","","95.739","0.002","90","","1166.98","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 Cl F O5 -","- C25 H32 Cl F O5 -","- C50 H64 Cl2 F2 O10 -","2","1","","Haramura, Masayuki; Tanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Clobetasol Propionate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x37","x38","10.2116/analscix.19.x37","","","1.5419","CuKα","","","0.038","","","","0.091","","","","","","0.985","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100669","10.237","0.001","18.754","0.002","16.566","0.002","90","","106.257","0.004","90","","3053.3","0.5","173.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl F6 N3 O2 P2 Ru -","- C29 H22 Cl F6 N3 O2 P2 Ru -","- C116 H88 Cl4 F24 N12 O8 P8 Ru4 -","4","1","","Ooyama, Dai; Sato, Masahito","Crystal Structure of (2,2'-Bipyridine-N,N')(diphenyl-2-phosphinopyridine-P)-chloro(dicarbonyl)ruthenium(II) Hexafluorophosphate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x39","x40","10.2116/analscix.19.x39","","","0.7107","MoKα","","","0.0341","","","","0.0794","","","","","","1.354","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100670","10.2822","0.0017","10.9006","0.0018","8.8072","0.0015","90","","100.148","0.003","90","","971.7","0.3","293","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C28 H36 N12 O12 S4 -","4","1","","Miao, Qian; Jin, Zhi-Min; Xiong, Jing; Hu, Mao-Lin","Crystal Structure of 4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x41","x42","10.2116/analscix.19.x41","","","0.71073","MoKα","","0.0635","0.0501","","","0.1298","0.1357","","","","","","0.974","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100671","7.181","0.002","11.123","0.004","11.686","0.004","65.101","0.01","87.6","0.02","71.91","0.009","800.5","0.4","113.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C34 H28 Cl2 N2 O10 -","2","1","","Shimo, Tetsuro; Kamimura, Kazutaka; Nogita, Rika; Yasutake, Mikio; Shinmyozu, Teruo; Somekawa, Kenichi","Crystal Structure of 1:1 Complex Crystal between 4-(3-Chlorobenzyloxy)-6-methyl-2-pyrone and Maleimide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x43","x44","10.2116/analscix.19.x43","","","0.7107","MoKα","","","0.0565","","","","0.0816","","","","","","1.28","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100672","16.152","0.006","10.127","0.005","11.45","0.005","90","","105.48","0.03","90","","1805","1.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","5-chloro-2-methyl-4-isothiazoline-3-one and 4,4'-ethylidenebisphenol","5-chloro-2-methyl-4-isothiazoline-3-one 4,4'-ethane-1,1-diyldiphenol","","- C18 H18 Cl N O3 S -","- C18 H18 Cl N O3 S -","- C72 H72 Cl4 N4 O12 S4 -","4","1","","Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x45","x46","10.2116/analscix.19.x45","","","0.71069","MoKα","","0.1098","0.052","","","0.1251","0.146","","","","","","1.028","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100673","12.402","0.002","10.257","0.002","11.295","0.003","90","","96.856","0.01","90","","1426.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","CMI gallate","5-chloro-2-methylisothiazol-3(2H)-one methyl 1,3,4,5-trihydroxybenzoate","","- C12 H12 Cl N O6 S -","- C12 H12 Cl N O6 S -","- C48 H48 Cl4 N4 O24 S4 -","4","1","","Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x47","x48","10.2116/analscix.19.x47","","","0.71073","MoKα","","0.0649","0.0392","","","0.1096","0.1251","","","","","","0.913","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100674","15.456","0.003","9.993","0.002","21.691","0.002","90","","103.23","0.01","90","","3261","1","293.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 N10 O2 P2 Zn2 -","- C74 H74 N10 O2 P2 Zn2 -","- C148 H148 N20 O4 P4 Zn4 -","2","0.5","","Shen, Xuan; Sakata, Kazunori; Hashimoto, Mamoru","Crystal Structure of a Dinuclear 1,2-Bis(diphenylphosphinooxide)ethane-bridged (6,8,15,17-Tetramethyldibenzo[b,i][1,4,8,11]-tetraazacyclotetradecinato) zinc(II) Complex","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x49","x50","10.2116/analscix.19.x49","","","0.7107","MoKα","","","0.048","","","","0.1567","","","","","","1.022","","","","has coordinates","175028","2020-10-21","18:00:00",""
"1100675","21.724","0.0017","7.9633","0.0006","13.6074","0.0011","90","","95.924","0.001","90","","2341.4","0.3","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5hthalid","5'-Hydroxythalidomide","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C104 H80 N16 O40 -","8","1","","Doi, Mitsunobu; Ijiri, Yoshio; Akagi, Masao; Uenishi, Miharu; Urata, Hidehito","Crystal Structure of 5'-Hydroxythalidomide In Vivo Metabolite of Thalidomide in Humans","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x51","x52","10.2116/analscix.19.x51","","","0.71073","MoKα","","0.0662","0.0639","","","0.1432","0.1445","","","","","","1.248","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100676","6.1468","0.0005","10.7412","0.0005","9.0572","0.0006","90","","103.665","0.003","90","","581.07","0.07","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 Br N -","- C11 H16 Br N -","- C22 H32 Br2 N2 -","2","1","","Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi","Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x53","x54","10.2116/analscix.19.x53","","","0.7107","MoKα","","","0.047","","","","0.052","","","","","","1.081","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100677","8.722","0.0007","11.42","0.0011","13.307","0.0012","90","","104.101","0.005","90","","1285.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Mahendra, M.; Doreswamy, B. H.; Adlakha, Priti; Raval, Kena; Varu, Bharat; Shah, Anamik; Sridhar, M. A.; Prasad, J. S.","Synthesis and Crystal Structure of 3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x55","x56","10.2116/analscix.19.x55","","x-ray","0.71073","MoKα","","0.1096","0.0625","","","0.1755","0.2265","","","","","","0.908","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100679","10.4686","0.0016","11.9543","0.0016","5.9271","0.0016","102.365","0.016","92.12","0.016","65.302","0.015","657.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 S -","- C14 H16 N2 S -","- C28 H32 N4 S2 -","2","1","","Aksoy, Ilhan; Çukurovali, Alaaddin; Güven, Kutalms; Yilmaz, Ibrahim; Sari, Ugur","Structure of 4-(1-phenyl-1-methylcyclobutyl-3-yl)-2-aminothiazole","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x59","x60","10.2116/analscix.19.x59","","","0.71069","MoKα","","0.0727","0.0419","","","0.1149","0.1333","","","","","","1.05","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100680","23.516","0.003","5.364","0.003","21.872","0.003","90","","90","","90","","2758.7","1.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","2","","Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan","Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x61","x62","10.2116/analscix.19.x61","","","0.71069","MoKα","","0.1098","0.041","","","0.1284","0.1759","","","","","","1.06","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100681","8.8162","0.0006","16.942","0.0015","4.8651","0.0003","90","","90","","90","","726.67","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Scorbamic acid","","","- C6 H9 N O5 -","- C6 H9 N O5 -","- C24 H36 N4 O20 -","4","1","","Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji","The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x65","x66","10.2116/analscix.19.x65","","","0.7107","MoKα","","0.0444","0.0421","","","0.1233","0.128","","","","","","1.116","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100682","8.3338","0.0013","10.294","0.002","8.029","0.002","90","","90","","90","","688.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Erythroscorbamic acid","","","- C6 H9 N O5 -","- C6 H9 N O5 -","- C24 H36 N4 O20 -","4","1","","Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji","The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x65","x66","10.2116/analscix.19.x65","","","0.7107","MoKα","","0.0455","0.0439","","","0.1249","0.1262","","","","","","1.113","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100684","6.3805","0.0005","15.624","0.001","24.778","0.002","90","","90","","90","","2470","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio","Crystal Structure of 1,4-Dimethoxyanthracene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x69","x70","10.2116/analscix.19.x69","","","0.7107","MoKα","","","0.0711","","","","0.1573","","","","","","1.772","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100685","6.5534","0.0013","7.4907","0.0015","12.03","0.002","85.42","0.03","82.92","0.03","74.83","0.03","564.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N O9 Sn -","- C7 H11 N O9 Sn -","- C14 H22 N2 O18 Sn2 -","2","1","","Ranjbar, Maryam; Aghabozorg, Hossein; Moghimi, Abolghasem","Crystal Structure of a Binuclear Seven-Coordinate Tin(IV) Complex","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x71","x72","10.2116/analscix.19.x71","","","0.71073","MoKα","","0.0608","0.0528","","","0.1371","0.14","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100686","5.2095","0.0001","14.1845","0.0005","6.0638","0.0002","90","","101.545","0.002","90","","439.01","0.02","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 N4 -","- C3 H4 N4 -","- C12 H16 N16 -","4","1","","Hwang, Long-Chih; Wu, Rang-Rong; Jane, Shin-Yi; Lee, Gene-Hsiang","Crystal Structure of 3-Amino-1,2,4-triazine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x73","x74","10.2116/analscix.19.x73","","","0.71073","MoKα","","0.0716","0.0477","","0.1228","0.1124","","","","1.01","1.096","1.096","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100689","12.4629","0.001","6.1705","0.0005","15.5815","0.0013","90","","102.243","0.002","90","","1171","0.17","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione","","- C28 H31 F O4 -","- C28 H31 F O4 -","- C56 H62 F2 O8 -","2","1","","Soriano-García, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramírez, Elena; Cabeza, Marisa","Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x79","x80","10.2116/analscix.19.x79","","","0.71073","MoKα","","0.0812","0.0476","","","0.0794","0.0868","","","","","","0.911","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101108","23.522","0.003","13.6089","0.001","22.327","0.002","90","","112.478","0.006","90","","6604","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H54 Cl2 Cu2 N12 O14 -","- C70 H54 Cl2 Cu2 N12 O14 -","- C280 H216 Cl8 Cu8 N48 O56 -","4","0.5","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.0496","","","0.1402","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101109","25.197","0.002","14.495","0.002","29.659","0.003","90","","115.55","0.01","90","","9773.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cu2 F12 N8 O4.5 P2 -","- C44 H39 Cu2 F12 N8 O4.5 P2 -","- C352 H312 Cu16 F96 N64 O36 P16 -","8","2","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.1003","","","0.218","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101110","54.836","0.008","15.923","0.001","12.299","0.001","90","","94.382","0.009","90","","10707.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu F12 N6 P2 -","- C36 H24 Cu F12 N6 P2 -","- C432 H288 Cu12 F144 N72 P24 -","12","1.5","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.0883","","","0.2557","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1200021","12.4556","0.0004","11.41","0.0007","9.8681","0.0007","90","","101.318","0.004","90","","1375.2","0.1","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 O7 -","- C16 H12 O7 -","- C64 H48 O28 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of Capillarisin","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","X63","X64","10.2116/analscix.19.x63","","","1.5418","CuKα","","","0.04","","","","0.148","","","","","","1.21","","","","has coordinates","301774","2025-08-18","12:44:28",""
"1501632","8.9906","0.00014","8.9906","0.00014","6.648","0.00011","90","","90","","90","","537.364","0.015","100","1","100","1","","","","","","","","4","I -4 2 m","I -4 2","121","strontium copper borate","","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.25","","Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y","Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2","The European Physical Journal B","2001","19","","507-516","","","","","0.71069","MoKα","","0.0177","0.0175","","","0.0402","0.0402","","","","","","1.989","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1501633","9.005","0.002","9.005","0.002","6.647","0.002","90","","90","","90","","539","0.2","423","2","423","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","strontium copper borate","","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.125","","Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y","Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2","The European Physical Journal B","2001","19","","507-516","","","","","0.71069","MoKα","","0.0155","0.0154","","","0.0399","0.0399","","","","","","1.984","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1504326","6.9172","0.001","11.976","0.002","22.298","0.004","90","","96.277","0.008","90","","1836.1","0.5","110","","110","","","","","","","","local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H25 B18 Co O -","- C6 H25 B18 Co O -","- C24 H100 B72 Co4 O4 -","4","1","","Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H","Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates.","Bioconjugate chemistry","2008","19","11","2171","2181","10.1021/bc800265w","","","0.71073","MoKα","","0.055","0.036","","","0.081","0.087","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504327","14.488","0.002","15.269","0.002","15.85","0.003","66.662","0.007","76.501","0.006","83.995","0.007","3130.2","0.9","110","","110","","","","","","","","local laboratory","6","P -1","-P 1","2","","","","- C62 H71 B18 Co N6 O3 -","- C62 H71 B18 Co N6 O3 -","- C124 H142 B36 Co2 N12 O6 -","2","1","","Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H","Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates.","Bioconjugate chemistry","2008","19","11","2171","2181","10.1021/bc800265w","","","0.71073","MoKα","","0.2247","0.0936","","","0.1632","0.2066","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504328","11.14","0.007","15.492","0.008","16.413","0.011","64.83","0.03","87.51","0.03","84.12","0.04","2550","3","110","","110","","","","","","","","local laboratory","6","P -1","-P 1","2","","","","- C44 H75 B18 Co N4 O2 -","- C44 H75 B18 Co N4 O2 -","- C88 H150 B36 Co2 N8 O4 -","2","1","","Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H","Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates.","Bioconjugate chemistry","2008","19","11","2171","2181","10.1021/bc800265w","","","0.71073","MoKα","","0.128","0.07","","","0.126","0.146","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509025","11.742","","3.667","","8.738","","90","","90.48","","90","","376.227","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Silver vanadium oxide (.68/2/5)","","- Ag0.68 O5 V2 -","- Ag0.68 O5 V2 -","- Ag2.72 O20 V8 -","4","0.5","","Andersson, S.","The Crystal Structure of a New Silver Vanadium Oxide Bronze, Ag1-x V2 O5 (x approximately.32)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","1371","1375","10.3891/acta.chem.scand.19-1371","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509057","4.085","","4.085","","4.085","","90","","90","","90","","68.167","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver erbium (0.95/0.05)","","- Ag0.95 Er0.05 -","- Ag0.95 Er0.05 -","- Ag3.8 Er0.2 -","4","0.0208333","","Elssner, I.; Hoehler, J.; Gebhardt, E.","Das System Silber-Erbium","Journal of the Less-Common Metals","1969","19","","329","335","10.1016/0022-5088(69)90178-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509062","4.0868","","4.0868","","4.0868","","90","","90","","90","","68.257","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver cerium (0.99/0.01)","","- Ag0.985 Ce0.015 -","- Ag0.985 Ce0.015 -","- Ag3.94 Ce0.06 -","4","0.0208333","","Ning, Y.; Zhen, Y.","Metastable extension of solid solubility of certain light rare earth metals in silver","Jinshu Xuebao","1983","19","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509293","6.29","","6.29","","6.29","","90","","90","","90","","248.858","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Cu Te -","- Ag Cu Te -","- Ag4 Cu4 Te4 -","4","0.0208333","","Salaev, E.Yu.; Nuriev, I.R.; Nabiev, R.N.","Investigation of phases in the Ag2 Te - Cu2 Te system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1983","19","","1074","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509303","3.574","","3.574","","3.574","","90","","90","","90","","45.652","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Er -","- Ag Er -","- Ag Er -","1","0.0208333","","Gebhardt, E.; Elssner, I.; Hoehler, J.","Das System Silber-Erbium","Journal of the Less-Common Metals","1969","19","","329","335","10.1016/0022-5088(69)90178-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509409","6.1038","","6.1038","","11.7118","","90","","90","","90","","436.339","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Se2 -","- Ag In Se2 -","- Ag4 In4 Se8 -","4","0.25","","Lesueur, R.; Djega-Mariadassou, C.; Benoit, P.; Charpin, P.","Crystal structure of chalcopyrite Ag In Se2","Japanese Journal of Applied Physics","1980","19","","85","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509754","18.33","","8.09","","3.6","","90","","90","","104.5","","516.839","","","","","","","","","","","","","3","B 1 1 m","B -2","8","","Ag2.95 V4 O12","","- Ag2.95 O12 V4 -","- Ag2.95 O12 V4 -","- Ag5.9 O24 V8 -","2","0.5","","Kuz'min, E.A.; Belov, N.V.; Drozdov, Yu.N.","Crystal structure of silver vanadate Ag4-X V4 O12 (X=1.05) using the Shenk method","Kristallografiya","1974","19","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509833","4.0864","","4.0864","","4.0864","","90","","90","","90","","68.237","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag99 La)0.04","","- Ag3.6 La0.4 -","- Ag3.6 La0.4 -","- Ag3.6 La0.4 -","1","0.00520833","","Ning, Y.; Zheng, Y.","Metastable extension of solid solubility of certain light rare-earth metals in Ag","Jinshu Xuebao","1983","19","","B225","B229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509847","4.0895","","4.0895","","4.0895","","90","","90","","90","","68.393","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag47 Gd3)0.08","","- Ag3.76 Gd0.24 -","- Ag3.76 Gd0.24 -","- Ag3.76 Gd0.24 -","1","0.00520833","","Ning, Y.; Zheng, Y.","Metastable extension of solid solubility of certain light rare-earth metals in Ag","Jinshu Xuebao","1983","19","","B225","B229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509855","4.0873","","4.0873","","4.0873","","90","","90","","90","","68.283","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag97 Nd3)0.04","","- Ag3.88 Nd0.12 -","- Ag3.88 Nd0.12 -","- Ag3.88 Nd0.12 -","1","0.00520833","","Ning, Y.; Zheng, Y.","Metastable extension of solid solubility of certain light rare-earth metals in Ag","Jinshu Xuebao","1983","19","","B225","B229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509858","4.087","","4.087","","4.087","","90","","90","","90","","68.267","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag39 Pr)0.1","","- Ag3.9 Pr0.1 -","- Ag3.9 Pr0.1 -","- Ag3.9 Pr0.1 -","1","0.00520833","","Ning, Y.; Zheng, Y.","Metastable extension of solid solubility of certain light rare-earth metals in Ag","Jinshu Xuebao","1983","19","","B225","B229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510614","3.4","","3.4","","5.09","","90","","90","","120","","50.957","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Au (C N)","","- C Au -","- C Au -","- C Au -","1","0.0416667","","Zhdanov, G.S.; Shugam, E.A.","The crystal structure of cyanides. The structure of gold cyanide","Zhurnal Fizicheskoi Khimii","1945","19","","519","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510653","9.0005","","9.0005","","6.6546","","90","","90","","90","","539.082","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Sr Cu2 (B O3)2","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.125","","Lemmens, P.; Kageyama, H.; Heger, G.; Roth, G.; Grove, M.; Onizuka, K.; Redhammer, G.J.; Guentherodt, G.; Roussel, P.; Ionescu, A.; Sparta, K.; Lueken, H.; Ueda, Y.; Huening, F.","Structural phase transition in the 2D spin dimer compound Sr Cu2 (B O3)2","The European Physical Journal B","2001","19","","507","516","10.1007/s100510170296","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511096","5.033","","5.033","","6.985","","90","","90","","120","","153.233","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Er Fe4 B","","- B Er Fe4 -","- B Er Fe4 -","- B2 Er2 Fe8 -","2","0.0833333","","Chernyak, G.V.","Iron-containing borides with structures of the CeCO4B-type","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1983","19","","436","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511235","3.54453","","3.54453","","16.03529","","90","","90","","120","","174.472","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Mg3 B N3","","- B Mg3 N3 -","- B Mg3 N3 -","- B2 Mg6 N6 -","2","0.0833333","","Hashizume, H.; Sudo, N.; Carvalho, C.A.M.","Determination of Mg3 B N3 structure from powder diffraction data by entropy maximization","Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report","1994","19","","29","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511453","7.687","","4.439","","8.699","","90","","107.08","","90","","283.741","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Be2 (B O3) F","","- B Be2 F O3 -","- B Be2 F O3 -","- B4 Be8 F4 O12 -","4","0.5","","Pavlyuchenko, V.S.; Bakakin, V.V.; Alekseev, V.I.; Baidina, I.A.; Podberezskaya, N.V.; Batsanova, L.R.","Crystal structure of beryllium fluoride borate B2 (B O3) F","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1978","19","","125","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511536","8.61","","7.58","","9.45","","90","","92","","90","","616.367","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sm Co B5 O10","","- B5 Co O10 Sm -","- B5 Co O10 Sm -","- B20 Co4 O40 Sm4 -","4","1","","Dzhafarov, G.G.; Mamedov, Kh.S.; Abdullaev, G.K.","Crystal structure of the double metaborate of samarium and cobalt Sm Co (B O2)5","Kristallografiya","1974","19","","737","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511741","9.5","","9.5","","7.502","","90","","90","","120","","586.347","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Nd Ga3 (B O3)4","","- B4 Ga3 Nd O12 -","- B4 Ga3 Nd O12 -","- B12 Ga9 Nd3 O36 -","3","0.166667","","Timchenko, T.I.; Al'shinskaya, L.I.; Belov, N.V.; Leonyuk, N.I.; Simonov, M.A.; Belokoneva, E.L.","Crystal structure of Nd Ga3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1978","19","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512946","17.7947","0.0005","14.4615","0.0004","23.7863","0.0006","90","","102.38","","90","","5978.8","0.3","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Cl2 N2 Ni2 S15 -","- C42 H74 Cl2 N2 Ni2 S15 -","- C168 H296 Cl8 N8 Ni8 S60 -","4","1","","Jonathan G. Breitzer; Thomas B. Rauchfuss","Studies on α-C~3~S~5~^2-^ (dmit^2^) and its dinuclear Ni(II) complex: spectroscopic and structural characterization","Polyhedron","2000","19","10","1283","1291","10.1016/S0277-5387(00)00381-8","","","0.71073","MoKα","","0.1424","0.0665","","","0.1032","0.1305","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513971","5.672","","5.672","","9.182","","90","","90","","90","","295.399","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese Oxide (1.5/.97/2)","","- Li1.5 Mn0.97 O2 -","- Li1.5 Mn0.97 O2 -","- Li12 Mn7.76 O16 -","8","0.25","","David, W. I. F.; Thackeray, M. M.; Bruce, P. G.; Goodenough, J. B.","Lithium insertion into beta-MnO2 and the rutile spinel transformation","Materials Research Bulletin","1984","19","","99","106","10.1016/0025-5408(84)90015-1","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1516837","26.838","0.005","9.9597","0.0016","18.698","0.003","90","","133.339","0.004","90","","3635","1.1","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Yuan, Ji-Wen; Qiu, Han-Yue; Wang, Peng-Fei; Makawana, Jigar A.; Yang, Yong-An; Zhang, Fei; Yin, Yong; Lin, Jie; Wang, Zhong-Chang; Zhu, Hai-Liang","Synthesis of caffeic acid amides bearing 2,3,4,5-tetra-hydrobenzo[b][1,4]dioxocine moieties and their biological evaluation as antitumor agents.","Molecules (Basel, Switzerland)","2014","19","6","7269","7286","10.3390/molecules19067269","","","0.71073","MoKα","","0.1965","0.0575","","","0.0984","0.131","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517987","6.2154","0.0002","6.2154","0.0002","7.4029","0.0007","90","","90","","90","","285.98","0.03","300","","300","","","","","","","","","4","P 4/n :1","P 4ab -1ab","85","","","","- D4 O7 P V -","- D4 O7 P V -","- D8 O14 P2 V2 -","2","0.25","","Tachez, Michel; Theobald, Francois; Bernard, Jean; Hewat, Alan W.","Intercalation of water molecules in a layer structure VOPO4. Crystal structure of VOPO4.2D2O","Revue de Chimie Minerale","1982","19","","291","300","","powder diffraction","","1.909","neutron","","","","","","","","","18.6","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519691","9.7837","0.0005","17.3161","0.001","17.4313","0.001","80.898","0.003","88.203","0.003","89.242","0.003","2914.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 N2 Zr -","- C28 H52 N2 Zr -","- C112 H208 N8 Zr4 -","4","2","","Zhang, Chunming; Pan, Heqi; Klosin, Jerzy; Tu, Siyu; Jaganathan, Arvind; Fontaine, Philip P.","Synthetic Optimization and Scale-Up of Imino‒Amido Hafnium and Zirconium Olefin Polymerization Catalysts","Organic Process Research & Development","2015","19","10","1383","","10.1021/acs.oprd.5b00047","","","0.71073","MoKα","","0.0747","0.0683","","","0.1822","0.186","","","","","","1.154","","","","has coordinates,has disorder","170097","2020-10-21","18:00:00",""
"1519692","14.8632","0.0005","7.9124","0.0002","18.9392","0.0004","90","","90","","90","","2227.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","0.71073","MoKα","","0.0466","0.0413","","","0.1006","0.106","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519693","18.0735","0.0013","12.3153","0.0012","9.8022","0.0008","90","","91.823","0.005","90","","2180.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","1.54178","CuKα","","0.0653","0.0454","","","0.1136","0.1259","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1520611","13.8135","0.0004","13.3386","0.0004","14.0876","0.0004","90","","114.496","0.0011","90","","2362.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-N-(2-(4-((4-fluorobenzyl)imino)-2,7-dimethyl-8-oxo-7,8-dihydro-4H-[1,3 dioxino[5,4-d]pyrimidin-6-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide","","- C22 H23 F N6 O5 -","- C22 H23 F N6 O5 -","- C88 H92 F4 N24 O20 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0498","0.042","","","0.1049","0.109","","","","","","1.06","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520612","9.4933","0.0018","11.2461","0.0019","24.486","0.004","90","","90","","90","","2614.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4- oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl) oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0387","0.0324","","","0.0745","0.0773","","","","","","1.026","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520613","11.2744","0.0003","9.4324","0.0003","25.6466","0.0007","90","","102.205","0.002","90","","2665.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido) propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0706","0.0578","","","0.1526","0.161","","","","","","1.055","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1521184","16.95679","","18.8631","","24.16399","","100.11","","92.33","","113.368","","6932.7","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)11 Gd (Gd4 Mo29 O100 (H2 O)23) (H2 O)25.75","","- Gd5 H141.5 Mo29 N11 O148.75 -","- Gd5 Mo29 N11 O148.75 -","- Gd10 Mo58 N22 O297.5 -","2","1","","Huang, J.-F.; Cai, X.Z.; Lin, S.; Wang, S.-M.; Lin, X.","Synthesis and crystal structure of lanthanide heteromolybdate complex (N H4)11 Gd (Gd4 Mo29 O100 (H2 O)23) . 25.75(H2 O)","Jiegon Huaxue","2000","19","","432","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521334","5.375","","8.569","","13.863","","90","","111.79","","90","","592.886","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Y1.335 La0.665) Si2 O7","","- La0.665 O7 Si2 Y1.335 -","- La0.665 O7 Si2 Y1.335 -","- La2.66 O28 Si8 Y5.34 -","4","1","","Monteverde, F.; Celotti, G.","Structural data from X-ray powder diffraction of a new phase formed in the Si3 N4 - La2 O3 - Y2 O3 system after oxidation in air","Journal of the European Ceramic Society","1999","19","","2021","2026","","","","","","","","","","","","","","","","","","","","","","has coordinates","141081","2020-10-21","18:00:00",""
"1521493","5.5467","","5.5616","","7.8426","","90","","89.959","","90","","241.933","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La (Mg0.5 Ti0.5) O3","","- La Mg0.5 O3 Ti0.5 -","- La Mg0.5 O3 Ti0.5 -","- La4 Mg2 O12 Ti2 -","4","1","","Lee, D.Y.; Paik, J.H.; Yoon, S.-J.; Whang, K.-C.; Nahm, S.; Yeo, J.H.; Ahn, B.G.","Crystal structure and microwave dielectric properties of La (Mg1/2 Ti1/2) O3 ceramics","Journal of Materials Science. Letters","2000","19","","131","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521687","3.308","","3.308","","12.71","","90","","90","","120","","120.45","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Nb2 S3)1.33","","- Nb2.66 S3.99 -","- Nb2.66 S4 -","- Nb2.66 S4 -","1","0.0416667","","Kadijk, F.; Jellinek, F.","The system niobium-sulfur","Journal of the Less-Common Metals","1969","19","","421","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","141900","2020-10-21","18:00:00",""
"1521725","9.385","","9.385","","9.385","","90","","90","","90","","826.614","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Os3 Sn7 -","- Os3 Sn7 -","- Os12 Sn28 -","4","0.0416667","","Kalyaeva, N.V.; Popova, S.V.","Effect of high pressure on the formation of intermediate phases in the Os-Sn system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1983","19","","1106","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522350","10.7793","","10.7793","","10.7793","","90","","90","","90","","1252.48","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Bi2 (In Nb O7)","","- Bi2 In Nb O7 -","- Bi2 In Nb O7 -","- Bi16 In8 Nb8 O56 -","8","0.0416667","","Zou, Z.; Ye, J.; Arakawa, H.","Preparation, structural and photophysical properties of Bi2 In Nb O7 compound","Journal of Materials Science. Letters","2000","19","","1909","1911","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522490","7.359","","7.359","","7.359","","90","","90","","90","","398.526","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Zr -","- Ir2 Zr -","- Ir16 Zr8 -","8","0.0416667","","Matthias, B.T.; Compton, V.B.; Corenzwit, E.","Some new superconducting compounds","Journal of Physics and Chemistry of Solids","1961","19","","130","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522501","3.7061","","3.7061","","13.12","","90","","90","","90","","180.206","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Lu Pb2 -","- Lu Pb2 -","- Lu2 Pb4 -","2","0.0625","","McMasters, O.D.; Gschneidner, K.A.jr.","The lutetium-lead system","Journal of the Less-Common Metals","1969","19","","337","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522510","10.46","","10.46","","17.05","","90","","90","","120","","1615.54","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Li Mg2 Zn3 -","- Li Mg2 Zn3 -","- Li16 Mg32 Zn48 -","16","0.666667","","Mel'nik, E.V.; Kripyakevich, P.I.","The compound Mg2 Li Zn3: a Laves phase with a new type of superstructure","Kristallografiya","1974","19","","645","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522512","4.387","","26.212","","7.155","","90","","90","","90","","822.768","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Rh3 Sn5 Y2 -","- Rh3 Sn5 Y2 -","- Rh12 Sn20 Y8 -","4","0.5","","Meot-Meyer, M.; Venturini, G.; Steinmetz, J.; Roques, B.; Malaman, B.","Des nouveaux stannures ternaires de rhodium et d'elements des terres rares: TR2 Rh3 Sn6 ou TR= Y, Gd, Tb, Dy, Ho. Structures cristallines et magnetiques des Y2 Rh3 Sn5","Materials Research Bulletin","1984","19","","1181","1186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522569","2.76","","2.76","","3.71","","90","","90","","90","","28.261","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(Mn.275 Zn.725)","","- Mn0.275 Zn0.725 -","- Mn0.275 Zn0.725 -","- Mn0.55 Zn1.45 -","2","0.0625","","Nakagawa, Y.; Hori, T.","Neutron diffraction studies of Mn-Zn alloys","Journal of the Physical Society of Japan","1964","19","","2082","2087","","","","","","","","","","","","","","","","","","","","","","has coordinates","142825","2020-10-21","18:00:00",""
"1522570","3.86","","3.86","","3.86","","90","","90","","90","","57.512","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mn Zn3 -","- Mn Zn3 -","- Mn Zn3 -","1","0.0208333","","Nakagawa, Y.; Hori, T.","Neutron diffraction studies of Mn-Zn alloys","Journal of the Physical Society of Japan","1964","19","","2082","2087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522731","4.206","","4.206","","6.92","","90","","90","","120","","106.017","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Po Sc -","- Po Sc -","- Po2 Sc2 -","2","0.0833333","","Prokin, E.S.; Ershova, Z.V.; Ermolaev, E.E.","Crystal structure of scandium monopolonide","Radiokhimiya","1977","19","","845","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522790","7.388","","7.388","","7.388","","90","","90","","90","","403.256","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg3 Pr -","- Mg3 Pr -","- Mg12 Pr4 -","4","0.0208333","","Rossi, A.; Iandelli, A.","La struttura cristallina dei composti La Mg3, Ce Mg3 e Pr Mg3","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1934","19","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522791","7.493","","7.493","","7.493","","90","","90","","90","","420.695","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Mg3 -","- La Mg3 -","- La4 Mg12 -","4","0.0208333","","Rossi, A.; Iandelli, A.","La struttura cristallina dei composti La Mg3, Ce Mg3 e Pr Mg3","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1934","19","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522889","4.104","","4.104","","5.436","","90","","90","","120","","79.291","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Pd0.17 Pt0.83) Sn","","- Pd0.17 Pt0.83 Sn -","- Pd0.17 Pt0.83 Sn -","- Pd0.34 Pt1.66 Sn2 -","2","0.0833333","","Shelton, K.L.; Skinner, B.J.; Merewether, P.A.","Phases and phase relations in the sysem Pd-Pt-Sn","Canadian Mineralogist","1981","19","","599","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522890","3.9935","","3.9935","","3.9935","","90","","90","","90","","63.689","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Pd0.5 Pt0.5)3 Sn","","- Pd1.5 Pt1.5 Sn -","- Pd1.5 Pt1.5 Sn -","- Pd1.5 Pt1.5 Sn -","1","0.0208333","","Shelton, K.L.; Merewether, P.A.; Skinner, B.J.","Phases and phase relations in the sysem Pd-Pt-Sn","Canadian Mineralogist","1981","19","","599","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522960","8.461","","8.461","","16.845","","90","","90","","120","","1044.35","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ga14 Li3 -","- Ga14 Li3 -","- Ga42 Li9 -","3","0.0833333","","Stoehr, J.; Schaefer, H.","Ga-Clusterverbaende im Li3 Ga14","Revue de Chimie Minerale","1982","19","","122","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523049","5.399","","5.399","","4.203","","90","","90","","120","","106.1","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ir5 La -","- Ir5 La -","- Ir5 La -","1","0.0416667","","Vorob'ev, V.D.; Mel'nikova, V.A.","X-ray studies of the systems Ir-La and Ir-Ce","Kristallografiya","1974","19","","642","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523158","3.0472","","3.0472","","3.0472","","90","","90","","90","","28.295","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ga0.25 V0.75)","","- Ga0.25 V0.75 -","- Ga0.25 V0.75 -","- Ga0.5 V1.5 -","2","0.0208333","","van Vucht, J.H.N.; Bruning, H.A.C.M.; Gomes de Mesquita, A.H.; Donkersloot, H.C.","The system vanadium-gallium","Philips Research Reports","1964","19","","407","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","143662","2020-10-21","18:00:00",""
"1523368","28.79","","6.94","","2.76","","90","","90","","90","","551.455","","","","","","","","","","","","","2","P b a m","-P 2 2ab","55","","","","- Pt7 Zn12 -","- Pt7 Zn12 -","- Pt14 Zn24 -","2","0.25","","Carl, W.; Schubert, K.","Die Struktur von Pt7 Zn12","Journal of the Less-Common Metals","1969","19","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523546","11.411","","11.411","","11.411","","90","","90","","90","","1485.84","","","","","","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","","","- Ga4 Ni3 -","- Ga4 Ni3 -","- Ga64 Ni48 -","16","0.166667","","Ellner, M.; Jacobi, H.; Best, K.J.; Schubert, K.","Struktur von Ni3 Ga4","Journal of the Less-Common Metals","1969","19","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523547","13.822","","7.894","","8.478","","90","","35.88","","90","","542.157","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ga9 Ni13 -","- Ga9 Ni13 -","- Ga18 Ni26 -","2","0.25","","Ellner, M.; Schubert, K.; Bhan, S.","Kristallstruktur von Ni13 Ga9 und zwei Isotypen.","Journal of the Less-Common Metals","1969","19","","245","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524011","10.083","","10.083","","14.24","","90","","90","","120","","1253.78","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","K Zr2 Li2.7 Si12 O30 Na","","- K Li2.7 Na O30 Si12 Zr2 -","- K Li2.7 Na O30 Si12 Zr2 -","- K2 Li5.4 Na2 O60 Si24 Zr4 -","2","0.0833333","","Bakakin, V.V.; Balko, V.P.; Solov'eva, L.P.","Crystal structure of milarite, armenite, and sogdianite","Kristallografiya","1974","19","","741","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524072","6.62","","5.36","","3.91","","90","","90","","90","","138.739","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Pt2 Sb2.6 Sn1.4","","- Pt2 Sb2.6 Sn2.6 -","- Pt2 Sb2.6 Sn2.6 -","- Pt2 Sb2.6 Sn2.6 -","1","0.125","","Bhan, S.; Goedecke, T.; Schubert, K.","Konstitution einiger Mischungen des Platins mit B-Elementen (B = Sn, Sb, Te)","Journal of the Less-Common Metals","1969","19","","121","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","144733","2020-10-21","18:00:00",""
"1524085","12.112","","12.112","","4.323","","90","","90","","120","","549.222","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Ce6 Ni2 Si3","","- Ce6 Ni4 Si7 -","- Ce6 Ni4 Si7 -","- Ce12 Ni8 Si14 -","2","0.166667","","Bodak, O.I.; Gladyshevskii, E.I.; Kharchenko, O.I.","Crystal structure of Ce6 Ni2 Si3 and related compounds","Soviet Physics, Crystallography (= Kristallografiya)","1974","19","","45","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","144746","2020-10-21","18:00:00",""
"1524135","7.027","","7.027","","7.027","","90","","90","","90","","346.984","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 Dy -","- Cu5 Dy -","- Cu20 Dy4 -","4","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.; Birkhan, J.","Rare-earth copper compounds with Au Be5 structure","Journal of the Less-Common Metals","1969","19","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524136","7.003","","7.003","","7.003","","90","","90","","90","","343.441","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 Er -","- Cu5 Er -","- Cu20 Er4 -","4","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.; Birkhan, J.","Rare-earth copper compounds with Au Be5 structure","Journal of the Less-Common Metals","1969","19","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524137","7.016","","7.016","","7.016","","90","","90","","90","","345.357","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 Ho -","- Cu5 Ho -","- Cu20 Ho4 -","4","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.; Birkhan, J.","Rare-earth copper compounds with Au Be5 structure","Journal of the Less-Common Metals","1969","19","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524138","6.691","","6.691","","6.691","","90","","90","","90","","299.553","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 Tm -","- Cu5 Tm -","- Cu20 Tm4 -","4","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.; Birkhan, J.","Rare earth-copper compounds with Au Be5 structure","Journal of the Less-Common Metals","1969","19","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524220","4.941","","4.941","","3.976","","90","","90","","120","","84.063","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co2.5 Ni2.5) Gd","","- Co2.5 Gd Ni2.5 -","- Co2.5 Gd Ni2.5 -","- Co2.5 Gd Ni2.5 -","1","0.0416667","","Chuang, Y.C.; Wu, C.-H.; Li, T.C.; Kao, L.; Chang, S.C.","Metallographische Untersuchung der Stabilitaet und des Zerfallsmechanismus der Verbindung Cd (Co1-x Nix)5","Praktische Metallographie","1982","19","","495","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524902","3.989","","3.989","","4.086","","90","","90","","120","","56.306","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co0.2 Ni0.8)2 Gd","","- Co0.4 Gd Ni1.6 -","- Co0.4 Gd Ni1.6 -","- Co0.4 Gd Ni1.6 -","1","0.0416667","","Mayer, I.; Tassa, M.","Rare earth-iron (cobalt, nickel)-silicon compounds","Journal of the Less-Common Metals","1969","19","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524903","4.075","","4.075","","4.386","","90","","90","","120","","63.075","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co0.2 Si0.8)2 La","","- Co0.4 La Si1.6 -","- Co0.4 La Si1.6 -","- Co0.4 La Si1.6 -","1","0.0416667","","Mayer, I.; Tassa, M.","Rare earth - iron (cobalt, nickel) - silicon compounds","Journal of the Less-Common Metals","1969","19","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525425","5.766","","5.766","","5.766","","90","","90","","90","","191.701","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce S -","- Ce S -","- Ce4 S4 -","4","0.0208333","","Vedel, I.; Rossat-Mignod, J.; Leger, J.M.; Redon, A.M.; Vogt, O.","The continuous valence transition in Cs under pressure","Journal of Physics C","1986","19","","6297","6302","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525555","16.95","","16.42","","7.28","","90","","117.78","","90","","1792.63","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ca.8 Na.4 Al2 Si7 O18 (H2 O)2","","- Al2 O20.27 Si7 -","- Al2 O20.27 Si7 -","- Al8 O81.08 Si28 -","4","0.5","","Alberti, A.","The structure of heulandite B (heat-collapsed phase)","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1973","19","","173","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","146566","2020-10-21","18:00:00",""
"1525607","5.44805","","7.67918","","5.43869","","90","","90","","90","","227.536","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.25 Pr0.75)0.7 Ca0.3 (Mn O3)","","- Ca0.3 La0.175 Mn O3 Pr0.525 -","- Ca0.3 La0.175 Mn O3 Pr0.525 -","- Ca1.2 La0.7 Mn4 O12 Pr2.1 -","4","0.5","","Balagurov, A.M.; Pomjakushin, V.Yu.; Sheptyakov, D.V.; Aksenov, V.L.; Belova, L.M.; Babushkina, N.A.; Kaul, A.R.; Gorbenko, O.Yu.","Evolution of (La1-y Pry)0.7 Ca0.3 Mn O3 crystal structure with A-cation size, temperature, and oxygen isotope substitution","The European Physical Journal B","2001","19","","215","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527292","5.958","","5.958","","12.39","","90","","90","","120","","380.893","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","K2 Pb O3","","- K2 O3 Pb -","- K2 O3 Pb -","- K8 O12 Pb4 -","4","0.166667","","Delmas, C.; Demazeau, G.; Devalette, M.; Hagenmuller, P.; Fouassier, C.","Evolution structurale sous haute pression des phases K2 M O3 (M= Zr, Hf, Sn, Pb)","Journal of Solid State Chemistry","1976","19","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527310","6.302","","6.302","","6.302","","90","","90","","90","","250.285","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Sn0.97 Zn0.03) (S0.03 Te0.97)","","- S0.03 Sn0.97 Te0.97 Zn0.03 -","- S0.03 Sn0.97 Te0.97 Zn0.03 -","- S0.12 Sn3.88 Te3.88 Zn0.12 -","4","0.0208333","","Dubrovin, I.V.; Budennaya, L.D.; Sharkina, E.V.; Mizetskaya, I.B.","Phase equilibria in the Sn Te - Zn S system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1983","19","","1816","1819","","","","","","","","","","","","","","","","","","","","","","has coordinates","148812","2020-10-21","18:00:00",""
"1527610","5.845","","3.334","","6.396","","90","","90","","90","","124.64","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","Nb0.92 S","","- Nb0.9 S -","- Nb0.9 S -","- Nb3.6 S4 -","4","0.5","","Kadijk, F.; Jellinek, F.","The system niobium-sulfur","Journal of the Less-Common Metals","1969","19","","421","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527611","6.702","","6.702","","6.405","","90","","90","","120","","249.149","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Nb0.92 S -","- Nb0.92 S -","- Nb7.36 S8 -","8","0.666667","","Kadijk, F.; Jellinek, F.","The system niobium-sulfur","Journal of the Less-Common Metals","1969","19","","421","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527638","9.396","","16.85999","","9.413","","90","","90.05","","90","","1491.17","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","K4 (Fe (C N)6) (H2 O)3","","- C6 H6 Fe K4 N6 O3 -","- C6 H6 Fe K4 N6 O3 -","- C24 H24 Fe4 K16 N24 O12 -","4","0.5","","Kiriyama, R.; Niizeki, N.; Kiriyama, H.; Wada, T.; Hirabayashi, H.","Nuclear magnetic resonance and X-Ray studies of potassium ferrocyanide trihydrate crystal","Journal of the Physical Society of Japan","1964","19","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528270","16.93","","9.144","","5.735","","90","","90","","90","","887.823","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Sn5 Ti6 -","- Sn5 Ti6 -","- Sn20 Ti24 -","4","0.25","","van Vucht, J.H.N.; Bruning, H.A.C.M.; Donkersloot, H.C.; Gomes de Mesquita, A.H.","The system vanadium-gallium","Philips Research Reports","1964","19","","407","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528554","6.71","","9","","7.4","","90","","90","","90","","446.886","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cu (H P O3) (H2 O)2","","- Cu H5 O5 P -","- Cu O5 P -","- Cu4 O20 P4 -","4","1","","Handlovic, M.","Krystalova struktura Cu H P O3 (H2 O)2","Chemicke Zvesti","1965","19","","641","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528561","6.75","","6.75","","4.14","","90","","90","","90","","188.629","","","","","","","","","","","","","2","P 42","P 4c","77","","","","- H2 S -","- H2 S -","- H8 S4 -","4","1","","Harada, J.; Kitamura, N.","Structure and phase transition of solid hydrogen sulfide","Journal of the Physical Society of Japan","1964","19","","328","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528587","7.783","","7.783","","5.39","","90","","90","","120","","282.757","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Nb10 Ge7","","- Ge7 Nb10 -","- Ge7 Nb10 -","- Ge7 Nb10 -","1","0.0416667","","Horyn, R.; Kubiak, R.","The crystal structure of Nb10 Ge7 (Nb3 Ge2)","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1971","19","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","151024","2020-10-21","18:00:00",""
"1528844","5.727","","5.727","","9.284","","90","","90","","90","","304.502","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mg (Mn2 O4)","","- Mg Mn2 O4 -","- Mg Mn2 O4 -","- Mg4 Mn8 O16 -","4","0.125","","Sanjana, N.R.; Biswas, A.B.; Sinha, A.P.B.","The crystal structure of magnesium manganite, Mg Mn2 O4","Journal of Scientific and Industrial Research of India B","1960","19","","415","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529583","18.118","","7.223","","7.376","","90","","90","","90","","965.27","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","B10 H12 (N H3)2","","- B10 H18 N2 -","- B10 H18 N2 -","- B40 H72 N8 -","4","0.5","","Baidina, I.A.; Podberezskaya, N.V.; Borisov, S.V.; Volkov, V.V.; Alekseev, V.I.","Crystal structure of 6,9-bis-aminododecahydro-nido-decaborane B10 H12 (N H3)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1978","19","","547","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529683","3.406","","3.406","","38.2","","90","","90","","120","","383.781","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na0.3 Ti S2","","- Na0.3 S2 Ti -","- Na0.3 S2 Ti -","- Na1.8 S12 Ti6 -","6","0.166667","","Bouwmeester, H.J.M.; Dekker, E.J.P.; Bronsema, K.D.; Haange, R.J.; Wiegers, G.A.","Structures and phase relations of compounds Nax Ti S2 and Nax Ti Se2","Revue de Chimie Minerale","1982","19","","333","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529776","16.579","","24","","4.09","","90","","90","","90","","1627.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sr3 Sb4 S9","","- S9 Sb4 Sr3 -","- S9 Sb4 Sr3 -","- S36 Sb16 Sr12 -","4","1","","Cordier, G.; Schwidetzky, C.; Schaefer, H.","Sb S3-Tetraederketten und Sb S5-Oktaederketten im Sr3 Sb4 S9","Revue de Chimie Minerale","1982","19","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","154397","2020-10-21","18:00:00",""
"1529980","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","Rb Cu4 Cl3 I2","","- Cl3 Cu3.886 I2 Rb -","- Cl3 Cu3.886 I2 Rb -","- Cl12 Cu15.544 I8 Rb4 -","4","0.166667","","Geller, S.; Akridge, J.R.; Wilber, S.A.","Crystal structure and conductivity of the solid electrolyte alpha-Rb Cu4 Cl3 I2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1979","19","","5396","5402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529986","6.983","","8.594","","10.825","","65.877","","66.19","","78.17","","541.812","","","","","","","","","","","","","4","P -1","-P 1","2","","Na.5 Zn2.75 (Mo O4)3","","- Mo3 Na0.5 O12 Zn2.75 -","- Mo3 Na0.5 O12 Zn2.75 -","- Mo6 Na O24 Zn5.5 -","2","1","","Gicquel-Mayer, C.; Mayer, M.","Etude Structurale du Molybdate double Na.5 Zn2.75 (Mo O4)3","Revue de Chimie Minerale","1982","19","","91","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","154933","2020-10-21","18:00:00",""
"1530315","19.376","","8.114","","10.132","","90","","90","","90","","1592.92","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Cd3 Cs2 (O H)2 (S O4)3 (H2 O)2","","- Cd3 Cs2 H6 O16 S3 -","- Cd3 Cs2 O16 S3 -","- Cd12 Cs8 O64 S12 -","4","0.5","","Louer, M.; Louer, D.","Etude structurale des hydroxysulfates de cadmium V. Synthese et structure cristalline de Cd3 M2 (O H)2 (S O4)3 (H2 O)2 M= Cs,K","Revue de Chimie Minerale","1982","19","","162","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530316","18.657","","7.918","","9.94","","90","","90","","90","","1468.4","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Cd3 K2 (O H)2 (S O4)3 (H2 O)2","","- Cd3 H6 K2 O16 S3 -","- Cd3 K2 O16 S3 -","- Cd12 K8 O64 S12 -","4","0.5","","Louer, M.; Louer, D.","Etude structurale des hydroxysulfates de cadmium V. Synthese et structure cristalline de Cd3 M2 (O H)2 (S O4)3 (H2 O)2-M= Cs,K","Revue de Chimie Minerale","1982","19","","162","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530349","3.7046","","3.7046","","12.5301","","90","","90","","90","","171.964","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","Nd2 Al O3 N","","- Al N Nd2 O3 -","- Al N Nd2 O3 -","- Al2 N2 Nd4 O6 -","2","0.125","","Marchand, R.; Roult, G.; Pastuszak, R.; Laurent, Y.","Structure cristalline de Nd2 Al O3 N. Determination de l'ordre oxygene-azote par diffraction de neutrons","Revue de Chimie Minerale","1982","19","","684","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530487","5.076","","5.076","","14.032","","90","","90","","120","","313.107","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Fe0.6 Co0.4) (Ti O3)","","- Co0.4 Fe0.6 O3 Ti -","- Co0.4 Fe0.6 O3 Ti -","- Co2.4 Fe3.6 O18 Ti6 -","6","0.333333","","Newsam, J.M.; Takei, H.; Endoh, Y.; Ishikawa, Y.","Powder neutron diffraction studies of the mixed ilmenite system Fe0.6 Co0.4 Ti O3","Journal of Physics C","1986","19","","1273","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530501","11.469","","12.555","","7.236","","90","","90","","113.3","","956.962","","","","","","","","","","","","","3","P 1 1 2/b","-P 2b","13","","Pb Ge O3","","- Ge O3 Pb -","- Ge O3 Pb -","- Ge12 O36 Pb12 -","12","3","","Nozik, Yu.Z.; Maksimov, B.A.; Gabrielyan, V.T.; Fykin, L.E.; Dudarev, V.Ya.; Garashina, L.S.","Neutron diffraction study of lead germanate Pb Ge O3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1978","19","","731","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530603","11.097","","13.409","","6.83","","85.5","","92.23","","104.98","","978.554","","","","","","","","","","","","","6","P -1","-P 1","2","","Ce2 (S O4)3 (O C (N H2)2)2 (H2 O)5","","- C2 H18 Ce2 N4 O19 S3 -","- C2 Ce2 N4 O19 S3 -","- C4 Ce4 N8 O38 S6 -","2","1","","Ponomarenko, V.I.; Porai-Koshits, M.A.; Kurkutova, E.N.; Sulaimankulov, K.","The crystal structure of cerium (III) sulfate-2-urea-5-water Ce2 (S O4)3 (O C (N H2)2)2 (H2 O)5 and the structural characteristics of the sulfates of the rare earth elements","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1978","19","","856","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","155738","2020-10-21","18:00:00",""
"1530688","20.4743","0.0012","8.7109","0.0006","22.4995","0.0014","90","","112.422","0.004","90","","3709.4","0.4","150","0.02","150","0.02","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C36 H53 N3 O4 S -","- C36 H53 N3 O4 S -","- C144 H212 N12 O16 S4 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.161","0.099","","","0.235","0.285","","","","","","1.002","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530689","21.0551","0.0006","21.0551","0.0006","13.925","0.0005","90","","90","","120","","5346.1","0.3","150","0.02","150","0.02","","","","","","","","6","P 61","P 61","169","","","","- C29 H49 Cl N2 O3 S -","- C29 H49 Cl N2 O3 S -","- C174 H294 Cl6 N12 O18 S6 -","6","1","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.094","0.083","","","0.218","0.234","","","","","","1.101","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530690","7.378","0.0005","14.3067","0.001","36.57","0.003","90","","92.36","0.001","90","","3856.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H60.5 Br N2 O5.25 S2 -","- C38 H60.5 Br N2 O5.25 S2 -","- C152 H242 Br4 N8 O21 S8 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","x-ray","0.71073","MoKα","","0.1177","0.0678","","","0.1592","0.188","","","","","","0.981","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530895","5.0425","","5.0425","","5.0425","","90","","90","","90","","128.215","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","N H4 Mn Cl3","","- Cl3 H4 Mn N -","- Cl3 Mn N -","- Cl3 Mn N -","1","0.0208333","","Tornero, J.D.; Cano, F.H.; Fayos, J.; Martinez-Ripoll, M.","X-ray single crystal analysis of the phase transitions in N H4 Mn Cl3. Some Moessbauer-X-Ray spectra relations","Ferroelectrics","1978","19","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530896","10.05","","10.21","","9.98","","90","","90","","90","","1024.05","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(N H4) (Mn Cl3)","","- Cl3 H4 Mn N -","- Cl3 Mn N -","- Cl24 Mn8 N8 -","8","0.5","","Tornero, J.D.; Cano, F.H.; Fayos, J.; Martinez-Ripoll, M.","X-ray single crystal analysis of the phase transitions in N H4 Mn Cl3. Some Moessbauer-X-Ray spectra relations","Ferroelectrics","1978","19","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530959","5.074","","18.253","","5.437","","90","","90","","90","","503.552","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na2 W O2 F4","","- F4 Na2 O2 W -","- F4 Na2 O2 W -","- F16 Na8 O8 W4 -","4","0.5","","Vlasse, M.; Moutou, J.M.; Cervera-Marzal, M.; Chaminade, J.P.; Hagenmuller, P.","Structure de Na2 W O2 F4","Revue de Chimie Minerale","1982","19","","58","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531245","5.9","","5.9","","14.57","","90","","90","","120","","439.232","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Ca.3333 Ru.6667 O3","","- Ba Ca0.3333 O3 Ru0.6667 -","- Ba Ca0.333333 O3 Ru0.666667 -","- Ba6 Ca2 O18 Ru4 -","6","0.25","","Darriet, J.; Drillon, M.; Villeneuve, G.; Hagenmuller, P.","Interactions magnetiques dans des groupements binucleaires du ruthenium +V","Journal of Solid State Chemistry","1976","19","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531291","5.56","","5.56","","22.001","","90","","90","","120","","589.01","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","La1.4 Al22.6 O36","","- Al22.6 La1.4 O36 -","- Al22.64 La1.4 O36.04 -","- Al22.64 La1.4 O36.04 -","1","0.0416667","","Dexpert-Ghys, J.; Faucher, M.; Caro, P.","Optical and structural investigation of the lanthanum beta-alumina phase doped with europium","Journal of Solid State Chemistry","1976","19","","193","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","156685","2020-10-21","18:00:00",""
"1532107","9.088","","9.088","","8.5443","","90","","90","","120","","611.144","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ti3 Sc4 O12","","- O12 Sc4 Ti3 -","- O12 Sc3.9996 Ti2.9998 -","- O36 Sc11.9988 Ti8.9994 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157747","2020-10-21","18:00:00",""
"1532108","9.259","","9.259","","8.7083","","90","","90","","120","","646.535","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Nb1.498 Sc5.502 O12.000","","- Nb1.498 O12 Sc5.502 -","- Nb1.498 O12 Sc5.502 -","- Nb4.494 O36 Sc16.506 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157748","2020-10-21","18:00:00",""
"1532109","9.2746","","9.2746","","8.7224","","90","","90","","120","","649.766","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb Sc6 O11 F","","- F Nb O11 Sc6 -","- F0.9996 Nb O11.0004 Sc6 -","- F2.9988 Nb3 O33.0012 Sc18 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532110","9.2964","","9.2964","","8.7185","","90","","90","","120","","652.532","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb Sc5 Hf O12","","- Hf Nb O12 Sc5 -","- Hf0.9996 Nb O12 Sc4.998 -","- Hf2.9988 Nb3 O36 Sc14.994 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532111","9.371","","9.371","","8.706","","90","","90","","120","","662.096","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Hf3 Sc4 O12","","- Hf3 O12 Sc4 -","- Hf3.03 O12 Sc3.97 -","- Hf9.09 O36 Sc11.91 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157751","2020-10-21","18:00:00",""
"1532112","9.657","","9.657","","9.0235","","90","","90","","120","","728.769","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Yb4 O12","","- O12 Yb4 Zr3 -","- O12 Yb4.0002 Zr2.9998 -","- O36 Yb12.0006 Zr8.9994 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157752","2020-10-21","18:00:00",""
"1532113","9.7102","","9.7102","","9.0804","","90","","90","","120","","741.467","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Er4 O12","","- Er4 O12 Zr3 -","- Er4.0002 O12 Zr2.9998 -","- Er12.0006 O36 Zr8.9994 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157753","2020-10-21","18:00:00",""
"1532833","8.7278","0.0003","9.6635","0.0004","46.6791","0.0018","90","","90","","90","","3937","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dibenzylammonium (3R,6R)-6-methyl-2-oxopiperidine -3-carboxylate","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C168 H224 N16 O32 -","8","2","","Chung, John Y. L.; Marcune, Benjamin; Strotman, Hallena R.; Petrova, Rositza I.; Moore, Jeffrey C.; Dormer, Peter G.","Synthesis of ((3R,6R)-6-Methylpiperidin-3-yl)methanol via Biocatalytic Transamination and Crystallization-Induced Dynamic Resolution","Organic Process Research & Development","2015","19","10","1418","","10.1021/acs.oprd.5b00259","","x-ray","1.5418","CuKα","","0.0605","0.0507","","","0.1182","0.1216","","","","","","1.043","","","","has coordinates","170096","2020-10-21","18:00:00",""
"1534205","10.69","","10.69","","13.9","","90","","90","","120","","1375.63","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Ba Ca2 Al6 Si9 O30 (H2 O)2","","- Al6 Ba Ca2 H4 O32 Si9 -","- Al6 Ba Ca2 O32 Si9 -","- Al12 Ba2 Ca4 O64 Si18 -","2","0.0833333","","Bakakin, V.V.; Balko, V.P.; Solov'eva, L.P.","Crystal Structures of Milarite, Armenite, and Sogdianite","Kristallografiya","1974","19","","741","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534206","10.083","","10.083","","14.24","","90","","90","","120","","1253.78","","","","","","","","","","","","","8","P 6/m c c","-P 6 2c","192","","K Na Li3 Fe.2 Fe.6 Zr.8 Ti.4 Si12 O30","","- Fe0.8 K Li3 Na O30 Si12 Ti0.4 Zr0.8 -","- Fe0.8 K Li3 Na O30 Si12 Ti0.4 Zr0.8 -","- Fe1.6 K2 Li6 Na2 O60 Si24 Ti0.8 Zr1.6 -","2","0.0833333","","Bakakin, V.V.; Solov'eva, L.P.; Balko, V.P.","Crystal Structures of Milarite, Armenite, and Sogdianite","Kristallografiya","1974","19","","741","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534441","10.78","","10.78","","10.78","","90","","90","","90","","1252.73","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 (Te Br6)","","- Br6 K2 Te -","- Br6 K2 Te -","- Br24 K8 Te4 -","4","0.0208333","","Abriel, W.","Polymorphism and phase transitions of K2 Te Br6: a single crystal investigation of the high temperature phases (383-463 K)","Materials Research Bulletin","1984","19","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534444","7.58","","7.58","","10.812","","90","","90","","90","","621.219","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Potassium hexabromidotellurate(IV)","","- Br6 K2 Te -","- Te -","- Te2 -","2","0.125","","Abriel, W.","Polymorphism and phase transitions of K2 Te Br6: a single crystal investigation of the high temperature phases (383 - 463 K)","Materials Research Bulletin","1984","19","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","297459","2025-01-24","08:25:09",""
"1534501","4.278","","4.278","","9.83","","90","","90","","90","","179.902","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","La Ir Si3","","- Ir La Si3 -","- Ir La Si3 -","- Ir2 La2 Si6 -","2","0.125","","Lejay, P.; Higashi, I.; Chevalier, B.; Etourneau, J.; Hagenmuller, P.","Crystal structure of new superconducting materials La Ir Si3 and La Rh Si3. Structural relation between La Rh2 Si2, La2 Rh3 Si5 and La Rh Si3","Materials Research Bulletin","1984","19","","115","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534534","4.019","","4.019","","19.958","","90","","90","","120","","279.18","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na Gd S2","","- Gd Na S2 -","- Gd Na S2 -","- Gd3 Na3 S6 -","3","0.0833333","","Sato, M.; Adachi, G.Y.; Shiokawa, J.","Preparation and Structure of sodium Rare-earth sulfides, Na Ln S2 (Ln; Rare Earth elements)","Materials Research Bulletin","1984","19","","1215","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534643","21.69","","21.69","","9.67","","90","","90","","120","","3939.82","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ca7 (Ca Yb5) Ca18 F67","","- Ca26 F67 Yb5 -","- Ca25.9996 F67 Yb5.0004 -","- Ca77.9988 F201 Yb15.0012 -","3","0.166667","","Golubev, A.M.","The fifth rhombohedral modification of fluoride-like structures built from M8R6F69 clusters","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","939","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","161544","2020-10-21","18:00:00",""
"1534689","4.0149","","4.0149","","22.922","","90","","90","","90","","369.489","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Pb6.3 Mo O8 Br1.8","","- Br1.8 Mo O8 Pb6.3 -","- Br1.8 Mo0.9 O8 Pb6.3 -","- Br1.8 Mo0.9 O8 Pb6.3 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of a Number of Non-Stoichiometric Mixed Lead Oxide Halides Composed of PbO Like Blocks and Single Halogen Layers","Chemica Scripta","1982","19","","97","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534692","4.0158","","4.0158","","22.765","","90","","90","","90","","367.123","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","((Pb O)6 (W O3) (Pb Br2)).9","","- Br1.8 O8.1 Pb6.3 W0.9 -","- Br1.8 O8 Pb6.3 W0.9 -","- Br1.8 O8 Pb6.3 W0.9 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of a Number of Non-Stoichiometric Mixed Lead Oxide Halides Composed of PbO Like Blocks and Single Halogen Layers","Chemica Scripta","1982","19","","97","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","161635","2020-10-21","18:00:00",""
"1534696","3.9161","","3.9161","","22.746","","90","","90","","90","","348.829","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","((Pb O)7 (P O2.5) (Pb Cl2))0.9","","- Cl1.8 O4 P0.9 Pb7.1 -","- Cl1.8 O4 P0.9 Pb7.1 -","- Cl1.8 O4 P0.9 Pb7.1 -","1","0.03125","","Aurivillius, B.","On the crystal structure of a number of non-stoichiometric mixed lead oxide halides composed of Pb O like blocks and single halogen layers","Chemica Scripta","1982","19","","97","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","161640","2020-10-21","18:00:00",""
"1534801","8.994","","8.994","","3.575","","90","","90","","120","","250.445","","","","","","","","","","","","","3","P -6","P -6","174","","Ni12 Zr2 P7","","- Ni12 P7 Zr2 -","- Ni12 P7 Zr2 -","- Ni12 P7 Zr2 -","1","0.166667","","Guerin, R.; Ghadraoui, E.G.E.; Pivan, J.Y.; Sergent, M.; Padiou, J.","Nouveau type structural dans la chimie des phosphures: Le compose ternaire Ni20 Zr6 P13. Preparation, structure et proprietes.","Materials Research Bulletin","1984","19","","1257","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","161804","2020-10-21","18:00:00",""
"1534804","12.485","","12.485","","3.622","","90","","90","","120","","488.941","","","","","","","","","","","","","3","P -6","P -6","174","","Ni20 Zr6 P13","","- Ni20 P13 Zr6 -","- Ni20 P13 Zr6 -","- Ni20 P13 Zr6 -","1","0.166667","","Guerin, R.; Ghadraoui, E.G.E.; Pivan, J.Y.; Padiou, J.; Sergent, M.","Nouveau type structural dans la chimie des phosphures: Le compose ternaire Ni20 Zr6 P13. Preparation, structure et proprietes.","Materials Research Bulletin","1984","19","","1257","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","161809","2020-10-21","18:00:00",""
"1534912","10.927","","10.656","","10.486","","90","","90","","93.5","","1218.69","","","","","","","","","","","","","3","B 1 1 2/b","-B 2b","15","","Sc2 Ge O5","","- Ge O5 Sc2 -","- Ge O5 Sc2 -","- Ge12 O60 Sc24 -","12","1.5","","Maksimov, B.A.; Gorbunov, Yu.A.; Kharitonov, Yu.A.; Belov, N.V.","Crystal structure of scandium oxyorthogermanate Sc2 Ge O5","Kristallografiya","1974","19","","1081","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","209179","2020-10-21","18:00:00",""
"1535251","6.865","","3.962","","7.044","","90","","108.98","","90","","181.174","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Pt Te -","- Pt Te -","- Pt4 Te4 -","4","0.5","","Bhan, S.; Goedecke, G.; Schubert, K.","Konstitution einiger Mischungen des Platins mit B Elementen (B = Sn, Sb, Te)","Journal of the Less-Common Metals","1969","19","","121","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535501","5.419","","9.621","","13.526","","90","","95.96","","90","","701.382","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na (F3 Sb (O H) Sb F3) (H2 O)","","- F6 H3 Na O2 Sb2 -","- F6 Na O2 Sb2 -","- F24 Na4 O8 Sb8 -","4","1","","Tkachev, V.V.; Zemnukhova, L.A.; Atovmyan, L.O.; Davidovich, R.L.; Udovenko, A.A.","Crystal structure of NaSb2(OH)F6*H2O - the first hydroxofluoroantimonate(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","25","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535504","13.886","","11.666","","8.907","","90","","90","","90","","1442.88","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","K2 Rb2 (Zr F6)2 (H2 O)2","","- F12 H4 K2 O2 Rb2 Zr2 -","- F12 K2 O2 Rb2 Zr2 -","- F48 K8 O8 Rb8 Zr8 -","4","0.5","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.; Logvinova, V.B.","Crystal structure of potassium rubidium hexafluorozirconate dihydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","698","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535668","6.631","","12.952","","10.071","","90","","90","","114.96","","784.161","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","K2 Zn (Zr F6)2 (H2 O)6","","- F12 H12 K2 O6 Zn Zr2 -","- F12 H12 K2 O6 Zn Zr2 -","- F24 H24 K4 O12 Zn2 Zr4 -","2","0.5","","Bukvetskii, B.V.; Gerasimenko, A.V.; Davidovich, R.L.; Teplukhina, L.V.; Kaidalova, T.A.","Crystal structure of potassium zinc hexafluorozirconate hexahydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","526","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535826","8.6044","","5.0965","","7.8395","","90","","90","","90","","343.78","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Ca Ni5 H1.06","","- Ca H1.06 Ni5 -","- Ca Ni5 -","- Ca4 Ni20 -","4","0.5","","Calvert, L.D.; Gainsford, G.J.; Murray, J.J.; Taylor, J.B.","Crystal structure of Ca Ni5 H using X-Ray diffraction with in situ hydriding","Materials Research Bulletin","1984","19","","107","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","208241","2020-10-21","18:00:00",""
"1536550","8.734","","9.858","","13.564","","90","","90","","90","","1167.86","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H4)3 Ga (N C S)6 (H2 O)3","","- C6 H18 Ga N9 O3 S6 -","- C6 Ga N9 O3 S6 -","- C12 Ga2 N18 O6 S12 -","2","0.25","","Petrosyants, S.P.; Ilyukhin, A.B.","Crystal structure of (NH4)3(Ga(NCS)6)*3H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","839","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536578","9.999","","9.999","","6.07","","90","","90","","120","","525.572","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Yb (Re O4)3","","- O12 Re3 Yb -","- O12 Re3 Yb -","- O24 Re6 Yb2 -","2","0.166667","","Khrustalev, V.N.; Pisarevskii, A.P.; Varfolomeev, M.B.; Shamrai, N.B.; Struchkov, Yu.T.","Crystal structure of high temperature modification of ytterbium perrhenate Yb (Re O4)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","871","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536640","12.703","","8.68","","9.829","","90","","104.8","","90","","1047.81","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K2 Ge Te4","","- Ge K2 Te4 -","- Ge K2 Te4 -","- Ge4 K8 Te16 -","4","1","","Eisenmann, B.; Schrod, H.; Schaefer, H.","K2 Ge Te4, ein Pertelluridogermanat mit Kettenstruktur","Materials Research Bulletin","1984","19","","293","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536643","12.511","","7.22","","5.921","","90","","90","","90","","534.84","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg Al2 S4","","- Al2 Mg S4 -","- Al2 Mg S4 -","- Al8 Mg4 S16 -","4","0.5","","Eisenmann, B.; Jakowski, M.; Schaefer, H.","Die Strukturen des Mg Al2 S4 und Mg0.830 In2.113 S4","Materials Research Bulletin","1984","19","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536647","10.719","","10.719","","10.719","","90","","90","","90","","1231.58","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Mg0.830 In2.113 S4","","- In2.113 Mg0.83 S4 -","- In2.101 Mg0.824 S4 -","- In16.808 Mg6.592 S32 -","8","0.0416667","","Eisenmann, B.; Schaefer, H.; Jakowski, M.","Die Strukturen des Mg Al2 S4 und Mg0.830 In2.113 S4","Materials Research Bulletin","1984","19","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","164439","2020-10-21","18:00:00",""
"1536648","9.764","","9.764","","9.36","","90","","90","","120","","772.791","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","K0.08 Mg2 Al4.17 Si4.83 O18","","- Al4.17 K0.08 Mg2 O18 Si4.83 -","- Al4.1697 K0.0852 Mg2 O18 Si4.8303 -","- Al8.3394 K0.1704 Mg4 O36 Si9.6606 -","2","0.0833333","","Kim, Y.H.; Mercurio, D.; Mercurio, J.P.; Frit, B.","Structural study of a K-substituted synthetic cordierite","Materials Research Bulletin","1984","19","","209","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","164441","2020-10-21","18:00:00",""
"1536649","8.516","","8.516","","6.713","","90","","90","","90","","486.842","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","Ba Al2 Te4","","- Al2 Ba Te4 -","- Al2 Ba Te4 -","- Al4 Ba2 Te8 -","2","0.125","","Eisenmann, B.; Jakowski, M.; Schaefer, H.","Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4","Revue de Chimie Minerale","1982","19","","263","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536651","6.74","","11.621","","11.634","","90","","90","","90","","911.239","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","Sr Ga2 Te4","","- Ga2 Sr Te4 -","- Ga2 Sr Te4 -","- Ga8 Sr4 Te16 -","4","0.25","","Eisenmann, B.; Schaefer, H.; Jakowski, M.","Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4","Revue de Chimie Minerale","1982","19","","263","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536655","6.74","","11.621","","11.634","","90","","90","","90","","911.239","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","Sr In2 Te4","","- In2 Sr Te4 -","- In2 Sr Te4 -","- In8 Sr4 Te16 -","4","0.25","","Eisenmann, B.; Jakowski, M.; Schaefer, H.","Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4","Revue de Chimie Minerale","1982","19","","263","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536658","6.74","","11.621","","11.634","","90","","90","","90","","911.239","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","","","- Ba In2 Te4 -","- Ba In2 Te4 -","- Ba4 In8 Te16 -","4","0.25","","Eisenmann, B.; Jakowski, M.; Schaefer, H.","Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4","Revue de Chimie Minerale","1982","19","","263","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536801","12.0483","","12.0483","","7.207","","90","","90","","90","","1046.18","","","","","","","","","","","","","3","P -4 n 2","P -4 -2n","118","","","","- Nb P2 S8 -","- Nb P2 S8 -","- Nb4 P8 S32 -","4","0.5","","Evain, M.; Brec, R.; Ouvrard, G.; Rouxel, J.","Structure determination of (3D) P2 Nb S8","Materials Research Bulletin","1984","19","","41","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536807","18.844","","7.751","","10.842","","90","","90.02","","90","","1583.58","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Sn6 F10) (Nb O F5)","","- F15 Nb O Sn6 -","- F15 Nb O Sn6 -","- F60 Nb4 O4 Sn24 -","4","0.5","","Rakov, I.E.; Gorbunova, Yu.E.; Kokunov, Yu.V.; Mikhailov, Yu.N.","Synthesis and crystal structure of decafluorohexatin(II) oxopentafluoroniobate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","759","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537197","4.0259","","4.0259","","5.2209","","90","","90","","120","","73.283","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Te2 -","- Pt Te2 -","- Pt Te2 -","1","0.0833333","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of Ni Te2, Pd Te2, Pt S2, Pt Se2, and Pt Te2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537200","3.5432","","3.5432","","5.0388","","90","","90","","120","","54.783","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt S2 -","- Pt S2 -","- Pt S2 -","1","0.0833333","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of Ni Te2, Pd Te2, Pt S2, Pt Se2, and Pt Te2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537202","3.7278","","3.7278","","5.0313","","90","","90","","120","","60.55","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Se2 -","- Pt Se2 -","- Pt Se2 -","1","0.0833333","","Furuseth, S.; Kjekshus, A.; Selte, K.","Redetermined crystal structures of Ni Te2, Pd Te2, Pt S2, Pt Se2, and Pt Te2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537277","2.887","","2.887","","14.23","","90","","90","","120","","102.714","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Li.2 V1.16 O2","","- Li0.2 O2 V1.16 -","- Li0.2 O2 V1.16 -","- Li0.6 O6 V3.48 -","3","0.0833333","","de Picciotto, L.A.; Thackeray, M.M.; Goodenough, J.B.; Bruce, P.G.; David, W.I.F.","Structural characterization of delithiated Li V O2","Materials Research Bulletin","1984","19","","1497","1506","","","","","","","","","","","","","","","","","","","","","","has coordinates","165326","2020-10-21","18:00:00",""
"1537301","8.112","","8.112","","8.112","","90","","90","","90","","533.806","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Mg W O6","","- Ba2 Mg O6 W -","- Ba2 Mg O6 W -","- Ba8 Mg4 O24 W4 -","4","0.0208333","","Filip'ev, V.S.; Shatalova, G.E.; Fesenko, E.G.","Determination of bond lengths in tungstates with the Perovskite structure","Kristallografiya","1974","19","","386","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537302","8.118","","8.118","","8.118","","90","","90","","90","","534.992","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Zn W O6","","- Ba2 O6 W Zn -","- Ba2 O6 W Zn -","- Ba8 O24 W4 Zn4 -","4","0.0208333","","Filip'ev, V.S.; Fesenko, E.G.; Shatalova, G.E.","Determination of bond lengths in tungstates with the Perovskite structure","Kristallografiya","1974","19","","386","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537303","8.066","","8.066","","8.066","","90","","90","","90","","524.777","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Ni W O6","","- Ba2 Ni O6 W -","- Ba2 Ni O6 W -","- Ba8 Ni4 O24 W4 -","4","0.0208333","","Filip'ev, V.S.; Shatalova, G.E.; Fesenko, E.G.","Determination of bond lengths in tungstates with the Perovskite structure","Kristallografiya","1974","19","","386","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537514","12.58","","6.338","","10.38","","90","","90","","90","","827.619","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Mo O2)2 P2 O7","","- Mo2 O11 P2 -","- Mo2 O11 P2 -","- Mo8 O44 P8 -","4","0.5","","Kierkegaard, P.","On the crystal structure of (Mo O2)2 P2 O7","Arkiv foer Kemi","1962","19","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","165720","2020-10-21","18:00:00",""
"1537548","8.31","","5.35","","6.37","","90","","90","","90","","283.201","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb (Be F4)","","- Be F4 Pb -","- Be F4 Pb -","- Be4 F16 Pb4 -","4","0.5","","Krausse, J.; Rentsch, J.","Untersuchungen ueber die mikroheterogene Struktur von Pb F2 - Be F2 - Modellglaesern","Silikattechnik","1968","19","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537746","3.299","","3.299","","6.38","","90","","90","","120","","60.133","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ti S","","- S Ti -","- S Ti -","- S2 Ti2 -","2","0.0833333","","Bartram, S.F.","The crystallography of some titanium sulfides","Dissertation Abstracts","1958","19","","1216","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537791","6.67","","5.59","","3.7","","90","","90","","90","","137.956","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Pt Sb Sn -","- Pt Sb Sn -","- Pt2 Sb2 Sn2 -","2","0.25","","Bhan, S.; Goedecke, T.; Schubert, K.","Konstitution einiger Mischungen des Platins mit B-Elementen (B = Sn, Sb, Te)","Journal of the Less-Common Metals","1969","19","","121","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537920","3.855","","3.855","","3.643","","90","","90","","90","","54.139","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ir Mn -","- Ir Mn -","- Ir2 Mn2 -","2","0.125","","Brun, K.; Kjekshus, A.; Pearson, W.B.","Equiatomic transition metal alloys of manganese. II. The tetragonal Ir Mn phase","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","107","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538162","4.474","","11.098","","4.064","","90","","90","","90","","201.788","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge Pr -","- Ge Pr -","- Ge4 Pr4 -","4","0.25","","Iandelli, A.","Covalent bonding in intermetallic compounds I. The compounds Pr Ge and Ca Ge","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1955","19","","307","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538349","13.7","","13.7","","5.987","","90","","90","","90","","1123.7","","","","","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- Nb O2 -","- Nb O2 -","- Nb32 O64 -","32","2","","Marinder, B.O.","The crystal structure of niobium dioxide","Arkiv foer Kemi","1962","19","","435","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538454","8.04","","8.04","","3.95","","90","","90","","90","","255.334","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","N H4 Nb O F4","","- F4 H4 N Nb O -","- F4 N Nb O -","- F8 N2 Nb2 O2 -","2","0.125","","Pakhomov, V.I.; Kaidalova, T.A.","Crystal structure of ammonium tetrafluorooxyniobate","Kristallografiya","1974","19","","733","736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538794","4.814","","4.814","","4.814","","90","","90","","90","","111.563","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Pt V3 -","- Pt V3 -","- Pt2 V6 -","2","0.0416667","","Matthias, B.T.; Compton, V.B.; Corenzwit, E.","Some new superconducting compounds","Journal of Physics and Chemistry of Solids","1961","19","","130","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538797","4.794","","4.794","","4.794","","90","","90","","90","","110.178","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","(Ir V2)2.66","","- Ir2.66 V5.32 -","- Ir2.66 V5.34 -","- Ir2.66 V5.34 -","1","0.0208333","","Matthias, B.T.; Compton, V.B.; Corenzwit, E.","Some new superconducting compounds","Journal of Physics and Chemistry of Solids","1961","19","","130","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","167484","2020-10-21","18:00:00",""
"1538809","3.997","","3.997","","4.175","","90","","90","","120","","57.764","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ni2 Sm5 Si8)0.2","","- Ni0.4 Si1.6 Sm -","- Ni0.4 Si1.6 Sm -","- Ni0.4 Si1.6 Sm -","1","0.0416667","","Mayer, I.; Tassa, M.","Rare earth-iron(cobalt, nickel)-silicon compounds","Journal of the Less-Common Metals","1969","19","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538811","4.014","","4.014","","4.231","","90","","90","","120","","59.038","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Nd5 Ni2 Si8)0.2","","- Nd Ni0.4 Si1.6 -","- Nd Ni0.4 Si1.6 -","- Nd Ni0.4 Si1.6 -","1","0.0416667","","Mayer, I.; Tassa, M.","Rare earth-iron(cobalt, nickel)-silicon compounds","Journal of the Less-Common Metals","1969","19","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538813","4.021","","4.021","","4.25","","90","","90","","120","","59.51","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ni2 Pr5 Si8)0.2","","- Ni0.4 Pr Si1.6 -","- Ni0.4 Pr Si1.6 -","- Ni0.4 Pr Si1.6 -","1","0.0416667","","Mayer, I.; Tassa, M.","Rare earth-iron(cobalt, nickel)-silicon compounds","Journal of the Less-Common Metals","1969","19","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539084","5.4","","5.4","","5.4","","90","","90","","90","","157.464","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Gd O -","- Gd O -","- Gd4 O4 -","4","0.0416667","","Semiletov, S.A.; Ragimli, N.A.; Imamov, R.M.","Production and investigation of thin Gd oxide films","Kristallografiya","1974","19","","625","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539087","12.718","","12.718","","13.376","","90","","90","","90","","2163.53","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","Na2 U O2 Si O4","","- Na2 O6 Si U -","- Na2 O6 Si U -","- Na32 O96 Si16 U16 -","16","0.5","","Shashkin, D.P.; Belov, N.V.; Lur'e, E.A.","Crystal structure of Na2 O U2 Si O4","Kristallografiya","1974","19","","958","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539164","5.74","","5.74","","5.74","","90","","90","","90","","189.119","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Na Nd S2 -","- Na Nd S2 -","- Na2 Nd2 S4 -","2","0.0104167","","Sato, M.; Adachi, G.; Shiokawa, J.","Preparation and structure of sodium rare-earth sulfides, Na Ln S2 (Ln; rare earth elements)","Materials Research Bulletin","1984","19","","1215","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539169","5.798","","5.798","","5.798","","90","","90","","90","","194.91","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Na Pr S2 -","- Na Pr S2 -","- Na2 Pr2 S4 -","2","0.0104167","","Sato, M.; Adachi, G.; Shiokawa, J.","Preparation and structure of sodium rare-earth sulfides, Na Ln S2 (Ln; rare earth elements)","Materials Research Bulletin","1984","19","","1215","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539529","6.7272","","6.6065","","6.7196","","118.93","","91.82","","104.93","","248.194","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Re Se2 -","- Re Se2 -","- Re4 Se8 -","4","2","","Alcock, N.W.; Kjekshus, A.","The crystal stucture of ReSE2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","79","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539544","5.907","","5.907","","5.907","","90","","90","","90","","206.111","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tm0.92 Yb1.08 Se2","","- Se2 Tm0.92 Yb1.08 -","- Se2 Tm0.92 Yb1.08 -","- Se4 Tm1.84 Yb2.16 -","2","0.0104167","","Syassen, K.; Winzen, H.; Oki, K.; Leger, J.M.; Suryanarayanan, R.; Bach, H.","Effect of pressure on the valence states of Yb and Tm in Yb1-x Tmx Sb","Journal of Physics C","1986","19","","3753","3763","","","","","","","","","","","","","","","","","","","","","","has coordinates","168487","2020-10-21","18:00:00",""
"1539756","6.8572","","6.8572","","4.7571","","90","","90","","120","","193.716","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe2 Mn3 Si3 -","- Fe2.001 Mn2.999 Si3 -","- Fe4.002 Mn5.998 Si6 -","2","0.0833333","","Binczyska, H.; Dimitrijevic, Z.; Gajic, B.; Szytula, A.","Atomic and magnetic structure of Mn5-x Fex Si3","Physica Status Solidi, Sectio A: Applied Research","1973","19","","K13","K17","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540389","15.929","0.003","10.828","0.002","13.718","0.003","90","","91.62","0.03","90","","2365.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F2 N3 Na O7 S -","- C19 H24 F2 N3 Na O7 S -","- C76 H96 F8 N12 Na4 O28 S4 -","4","1","","Jiang, Chen; Wang, Yongli; Yan, Jiaqi; Yang, Jingxiang; Xiao, Liping; Hao, Hongxun","Formation Mechanism and Phase Transformation Behaviors of Pantoprazole Sodium Heterosolvate","Organic Process Research & Development","2015","19","11","1752","","10.1021/acs.oprd.5b00243","","","0.71073","MoKα","","0.0918","0.059","","","0.1591","0.1808","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540870","9.22","","9.22","","5.69","","90","","90","","120","","418.895","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Sn5 Ti6 -","- Sn5 Ti6 -","- Sn10 Ti12 -","2","0.0833333","","van Vucht, J.H.N.; Bruning, H.A.C.M.; Donkersloot, H.C.; Gomes de Mesquita, A.H.","The system V-Ga","Philips Research Reports","1964","19","","407","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541049","3.777","","12.573","","11.39","","90","","105.45","","90","","521.345","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Er23 Mn2 S35)0.4","","- Er9.2 Mn0.8 S14 -","- Er9.2 Mn0.8 S14 -","- Er9.2 Mn0.8 S14 -","1","0.125","","Tomas, A.; Robert, M.; Adolphe, C.; Guittard, M.","Structure cristalline de Mn0.4 Er4.6 S7","Materials Research Bulletin","1984","19","","1643","1646","","","","","","","","","","","","","","","","","","","","","","has coordinates","172267","2020-10-21","18:00:00",""
"1541349","5.802","","4.807","","7.525","","90","","112.68","","90","","193.645","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Cu P2 -","- Cu P2 -","- Cu4 P8 -","4","1","","Olofsson, O.","The crystal structures of Cu P2 and Ag P2 with some phase analytical data of the Cu-P and Ag-P systems","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","229","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541602","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(C H Cl3) (H2 S)2 (H2 O)17","","- C O17 S2 -","- C O17 S2 -","- C8 O136 S16 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Structure of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541604","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(C H Cl3) (H2)2 (H2 O)17","","- C H2 O17 -","- C H2 O17 -","- C8 H16 O136 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Structure of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541606","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","(C H Cl3) (C O2)2 (H2 O)17","","- C3 O17 -","- C3 O17 -","- C24 O136 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Structure of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541608","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(C2 H5 Cl) (N2)2 (H2 O)17","","- C N2 O17 -","- C N2 O17 -","- C8 N16 O136 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Srtucture of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541641","23.154","","3.9631","","34.91","","90","","90","","90","","3203.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn3 Sb2 S6","","- S6 Sb2 Sn3 -","- S6 Sb2 Sn3 -","- S72 Sb24 Sn36 -","12","1.5","","Parise, J.B.; Smith, P.P.K.; Howard, C.J.","Crystal Structure Refinement of Sn3 Sb2 S6 by High - Resolution Neutron Powder Diffraction","Materials Research Bulletin","1984","19","","503","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","173024","2020-10-21","18:00:00",""
"1541673","17.462","","6.556","","8.4595","","90","","103.86","","90","","940.253","","","","","","","","","","","","","3","P 1 2 1","P 2y","3","","K0.5 V5 S8","","- K0.5 S8 V5 -","- K0.5 S8 V5 -","- K2 S32 V20 -","4","2","","Bronsema, K.D.; Jansen, R.; Wiegers, G.A.","The preparation, crystal structures and properties of the potassium vanadium sulfides Kx V5 S8 (x= 0.5-0.7)","Materials Research Bulletin","1984","19","","555","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","173080","2020-10-21","18:00:00",""
"1541736","10.07","","11.603","","18.39","","90","","90","","90","","2148.73","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Cu (C (N H3)2 N (N H)2 N H2) Cl3) Cl (H2 O)","","- C H12 Cl4 Cu N6 O -","- C H12 Cl4 Cu N6 O -","- C8 H96 Cl32 Cu8 N48 O8 -","8","1","","Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A.","Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O)","Polyhedron","2000","19","","1737","1740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541754","9.551","","9.551","","9.551","","90","","90","","90","","871.258","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","H (N H3).80 Sb O3","","- H3.4 N0.8 O3 Sb -","- N0.8 O3 Sb -","- N9.6 O36 Sb12 -","12","0.25","","Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.","Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541756","9.488","","9.488","","9.488","","90","","90","","90","","854.13","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","H (N H3).32 Sb O3","","- H1.96 N0.32 O3 Sb -","- H0.34 N0.32 O3 Sb -","- H4.08 N3.84 O36 Sb12 -","12","0.25","","Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.","Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541758","9.53","","9.53","","9.53","","90","","90","","90","","865.523","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","H (N H3).83 Sb O3","","- H3.49 N0.83 O3 Sb -","- H0.44 N0.833333 O3 Sb -","- H5.28 N10 O36 Sb12 -","12","0.25","","Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.","Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541842","13.473","","9.529","","9.517","","90","","134.69","","90","","868.628","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","H (N H3)0.29 (Sb O3)","","- H1.87 N0.29 O3 Sb -","- H0.246667 N0.293333 O3 Sb -","- H2.96 N3.52 O36 Sb12 -","12","1.5","","Hamedi, O.M.; Besse, J.P.; Chevalier, R.; Baud, G.","Conducteurs protonique a l'ammonium de Type K Sb O3 cubique","Materials Research Bulletin","1984","19","","487","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541982","11.58","","10.81","","9.14","","90","","112","","90","","1060.83","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","K2 Ba (S6 O6)2","","- Ba K2 O12 S12 -","- Ba K2 O12 S12 -","- Ba2 K4 O24 S24 -","2","0.5","","Foss, O.; Johnson, K.","The crystal structure of potassium barium hexathionate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","2207","2218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542004","16.635","","3.964","","8.888","","90","","90","","90","","586.085","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Li Nb6 O15 F","","- F Li Nb6 O15 -","- F Nb6 O15 -","- F2 Nb12 O30 -","2","0.25","","Lundberg, M.","The crystal structure of Li Nb6 O15 F","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","2274","2284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542011","9.6782","","11.9565","","6.094","","90","","90","","90","","705.182","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pb (S O4) (Pb O)2","","- O6 Pb3 S -","- O6 Pb3 S -","- O24 Pb12 S4 -","4","0.25","","Mentzen, B.F.; Latrach, A.; Garnier, P.; Boher, P.; Bouix, J.","Structure cristalline de la phase haute temperature de Pb S O4 * 2 Pb O a 973K","Materials Research Bulletin","1984","19","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542015","7.646","","10.43","","5.918","","90","","90","","90","","471.947","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","(N H4)2 (Be F4)","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be4 F16 H32 N8 -","4","0.5","","Onodera, A.; Shiozaki, Y.","The crystal structure of (N H4)2 Be F4 at room temperature","Ferroelectrics","1978","19","","23","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542045","5.535","","10.661","","11.772","","90","","90","","90","","694.65","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Ni (N H3)2) (V O3)2","","- H6 N2 Ni O6 V2 -","- H6 N2 Ni O6 V2 -","- H24 N8 Ni4 O24 V8 -","4","0.5","","Lin, B.-Z.; Liu, S.-X.","Hydrothermal syntheses, structures and magnetic properties of coordination cation metavanadates, Cu (tn)2 (V O3)2 and Ni (N H3)2 (V O3)2","Polyhedron","2000","19","","2521","2527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542069","3.997","","3.997","","3.997","","90","","90","","90","","63.856","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Zr F2.67 O.67","","- F2.67 O0.67 Zr -","- F2.676 O0.672 Zr1.002 -","- F2.676 O0.672 Zr1.002 -","1","0.0208333","","Papiernik, R.; Frit, B.","Structure cristalline d'une phase cubique desordonnee de type Re O3 excedentaire en anions: Zr F2.67 O.67","Materials Research Bulletin","1984","19","","509","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542111","17.499","","3.2986","","8.489","","90","","103.98","","90","","475.49","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K.7 V5 S8","","- K0.7 S8 V5 -","- K0.7 S8 V5 -","- K1.4 S16 V10 -","2","0.25","","Bronsema, K.D.; Jansen, R.; Wiegers, G.A.","The Preparation, Crystal Structures and Properties of the Potassium Vanadium Sulfides Kx V5 S8 (x = 0.5-0.7)","Materials Research Bulletin","1984","19","","555","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","174098","2020-10-21","18:00:00",""
"1542115","4.866","","4.866","","10.55","","90","","90","","90","","249.802","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Zr (Ge O4)","","- Ge O4 Zr -","- Ge O4 Zr -","- Ge4 O16 Zr4 -","4","0.25","","Ennaciri, A.; Michel, D.; Perez y Jorba, M.; Pannetier, J.","Neutron diffraction determination of the structure of an ordered scheelite - type: Zr3 Ge O8","Materials Research Bulletin","1984","19","","793","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542230","13.7576","","5.6578","","7.0322","","90","","115.885","","90","","492.454","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Pb O) (Pb (S O4))","","- O5 Pb2 S -","- O5 Pb2 S -","- O20 Pb8 S4 -","4","0.5","","Mentzen, B.F.; Latrach, A.; Bouix, J.; Hewat, A.W.","The Crystal Structures of Pb O Pb X O4 (X = S, Cr, Mo) at 5 K by Neutron Powder Profile Refinement","Materials Research Bulletin","1984","19","","549","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542231","14.0076","","5.6445","","7.1028","","90","","115.33","","90","","507.597","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Pb O) (Pb (Cr O4))","","- Cr O5 Pb2 -","- Cr O5 Pb2 -","- Cr4 O20 Pb8 -","4","0.5","","Mentzen, B.F.; Latrach, A.; Bouix, J.; Hewat, A.W.","The crystal structures of Pb O Pb X O4 (X = S, Cr, Mo) at 5 K by neutron powder profile refinement","Materials Research Bulletin","1984","19","","549","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542232","14.2058","","5.7592","","7.2844","","90","","114.286","","90","","543.225","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb2 O (Mo O4)","","- Mo O5 Pb2 -","- Mo O5 Pb2 -","- Mo4 O20 Pb8 -","4","0.5","","Mentzen, B.F.; Hewat, A.W.; Latrach, A.; Bouix, J.","The Crystal Structures of Pb O Pb X O4 (X = S, Cr, Mo) at 5 K by Neutron Powder Profile Refinement","Materials Research Bulletin","1984","19","","549","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542233","7.1816","","5.7848","","8.0528","","90","","102.395","","90","","326.749","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb S O4 (Pb O)2","","- O6 Pb3 S -","- O6 Pb3 S -","- O12 Pb6 S2 -","2","0.5","","Mentzen, B.F.; Latrach, A.; Garnier, P.; Boher, P.; Bouix, J.","Structure cristalline de la phase haute temperature de Pb S O4 * 2 Pb O a 973K","Materials Research Bulletin","1984","19","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544669","9.741","0.001","8.847","0.001","5.306","0.001","90","","106.96","0.01","90","","437.38","0.11","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ca(Mg0.55Fe3+0.34Al0.11)(Si1.55Al0.42Fe3+0.03)O6","","ferrian aluminian diopside","- Al0.53 Ca Fe0.37 Mg0.55 O6 Si1.55 -","- Al0.5 Ca Fe0.4 Mg0.55 O6 Si1.55 -","- Al2 Ca4 Fe1.6 Mg2.2 O24 Si6.2 -","4","0.5","","Okui, M.; Marumo, F.; Sawada, H.; Ueki, M.; Ishizawa, N.","Site confirmation of Fe3+ in a synthetic ferrian aluminian diopside with an application of X-ray anomalous dispersion","Mineralogical Journal","1997","19","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","188686","2020-10-21","18:00:00",""
"1544928","15.308","0.003","18.011","0.004","18.454","0.004","90","0.03","90.22","0.03","90","0.03","5088","1.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C304 H208 O16 -","8","2","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.0429","0.0381","","","0.1004","0.1042","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544929","10.6286","0.0018","25.115","0.004","10.7465","0.0018","90","","104.224","0.004","90","","2780.7","0.8","130","","130","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H25 N3 O4 S -","- C33 H25 N3 O4 S -","- C132 H100 N12 O16 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0989","0.0497","","","0.1119","0.1429","","","","","","0.807","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544930","9.003","0.002","10.963","0.003","12.428","0.003","72.805","0.005","85.559","0.005","79.074","0.005","1150.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C60 H44 N4 O4 S2 -","2","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0667","0.0487","","","0.1243","0.1356","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544933","10.83","0.0014","9.6753","0.0012","16.09","0.002","90","","92.076","0.001","90","","1684.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","1","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.0363","0.0344","","","0.0913","0.0931","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544934","8.798","0.002","17.333","0.004","7.162","0.002","90","","99.138","0.009","90","","1078.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.","Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.","Organic letters","2017","19","2","372","375","10.1021/acs.orglett.6b03573","","","0.71073","MoKα","","0.1197","0.1026","","","0.215","0.2232","","","","","","1.129","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544935","11.1909","0.0009","21.865","0.002","8.6529","0.0007","90","","112.255","0.006","90","","1959.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.","Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.","Organic letters","2017","19","2","372","375","10.1021/acs.orglett.6b03573","","","0.71073","MoKα","","0.171","0.107","","","0.1935","0.2162","","","","","","1.175","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544936","21.1993","0.0019","8.9364","0.0009","27.249","0.003","90","","108.488","0.003","90","","4895.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl4 N5 -","- C58 H59 Cl4 N5 -","- C232 H236 Cl16 N20 -","4","1","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.71073","MoKα","","0.0978","0.0859","","","0.2221","0.2297","","","","","","1.13","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544937","14.2293","0.0002","14.2293","0.0002","14.5334","0.0004","90","","90","","90","","2942.62","0.1","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H58 Br4 Cl4 N6 -","- C60 H58 Br4 Cl4 N6 -","- C120 H116 Br8 Cl8 N12 -","2","0.25","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.7107","MoKα","","0.0408","0.0342","","","0.0948","0.0989","","","","","","1.034","","","","has coordinates","191398","2020-10-21","18:00:00",""
"1544938","8.89","0.0002","31.1842","0.0007","11.2873","0.0003","90","","90.258","0.001","90","","3129.12","0.13","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N3 O8 S -","- C32 H37 N3 O8 S -","- C128 H148 N12 O32 S4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","0.71073","MoKα","","0.0878","0.0523","","0.1334","0.1173","0.1334","","","","","","0.9883","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544939","25.6854","0.0002","8.0217","0.0001","15.3789","0.0001","90","","90","","90","","3168.68","0.05","150","","150","","","","","","","","local","6","P c a 21","P 2c -2ac","29","","","","- C32 H41 N O7 S Si -","- C32 H41 N O7 S Si -","- C128 H164 N4 O28 S4 Si4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0309","0.0303","","0.0783","0.0778","0.0783","","","","","","1.0308","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544940","10.6659","0.0001","12.3","0.0002","29.9835","0.0005","78.5156","0.0013","86.0516","0.0012","75.7746","0.0012","3735.77","0.1","150","","150","","","","","","","","local","6","P -1","-P 1","2","","","","- C37 H52 N2 O8 S Si -","- C37 H52 N2 O8 S Si -","- C148 H208 N8 O32 S4 Si4 -","4","2","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0526","0.0466","","0.1188","0.1142","0.1188","","","","","","1","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544941","7.5065","0.0004","8.2625","0.0003","12.1071","0.0005","93.086","0.003","105.999","0.004","96.045","0.004","715.11","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","1","1","","Wallbaum, Jan; Garve, Lennart K. B.; Jones, Peter G.; Werz, Daniel B.","Ring-Opening 1,3-Halochalcogenation of Cyclopropane Dicarboxylates.","Organic letters","2017","19","1","98","101","10.1021/acs.orglett.6b03375","","","1.54184","CuKα","","0.0295","0.029","","","0.0749","0.0758","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544943","18.542","0.0009","8.149","0.0004","16.428","0.001","90","","112.296","0.001","90","","2296.7","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","1","","Mangina, N. S. V. M. Rao; Kadiyala, Veerabhushanam; Guduru, Ravinder; Goutham, Kommuru; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-Catalyzed Intramolecular Regioselective 7-exo-dig Cyclization To Access 3-Methylene-3,4-dihydrobenzo[b]oxepinones.","Organic letters","2017","19","1","282","285","10.1021/acs.orglett.6b03433","","","0.71073","MoKα","","0.0937","0.0555","","","0.1492","0.1758","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544944","8.4235","0.0008","17.6443","0.0017","17.7369","0.0017","90","","90","","90","","2636.2","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O7 -","- C26 H31 N3 O7 -","- C104 H124 N12 O28 -","4","1","","Yarlagadda, Suresh; Ramesh, B.; Ravikumar Reddy, C.; Srinivas, L.; Sridhar, B.; Subba Reddy, B. V.","Organocatalytic Enantioselective Amination of 2-Substituted Indolin-3-ones: A Strategy for the Synthesis of Chiral α-Hydrazino Esters.","Organic letters","2017","19","1","170","173","10.1021/acs.orglett.6b03473","","","0.71073","MoKα","","0.0369","0.0339","","","0.0915","0.0939","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544945","8.0323","0.0014","11.0444","0.0015","21.437","0.004","90","","90","","90","","1901.7","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl2 N O -","- C23 H17 Cl2 N O -","- C92 H68 Cl8 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.0702","0.0395","","","0.0927","0.1163","","","","","","0.977","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544947","9.3929","0.0012","6.4813","0.0007","17.376","0.002","90","","101.247","0.003","90","","1037.5","0.2","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C40 H52 Br2 N2 O8 -","2","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","0.71075","MoKα","","0.0883","0.049","","","0.1022","0.1448","","","","","","1.098","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544948","15.7589","0.0012","10.4662","0.0008","26.8462","0.0016","90","","102.139","0.007","90","","4328.9","0.5","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N -","- C28 H29 N -","- C224 H232 N8 -","8","2","","Yin, Jianhao; Ye, Qingyu; Hao, Wei; Du, Shuaijing; Gu, Yucheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation of Cyclopenta[c]pyridine Derivatives from 2,5-Disubstituted Pyrroles and 1,4-Dibromo-1,3-butadienes via Pyrrole-Ring One-Carbon Expansion.","Organic letters","2017","19","1","138","141","10.1021/acs.orglett.6b03431","","","0.71073","MoKα","","0.1495","0.0834","","","0.1967","0.2336","","","","","","0.998","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544952","8.4034","0.0006","9.8773","0.0007","14.6579","0.0008","101.168","0.005","101.636","0.006","102.436","0.006","1127.36","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C50 H46 N6 O6 S2 -","2","1","","Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi","One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.","Organic letters","2017","19","1","10","13","10.1021/acs.orglett.6b02850","","","0.71073","MoKα","","0.0762","0.0526","","","0.1174","0.1356","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544953","8.3665","0.0008","10.0146","0.001","10.4237","0.001","90","","108.862","0.004","90","","826.47","0.14","123","","123","","","","","","","","Royal","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Royal, Titouan; Baumgartner, Yann; Baudoin, Olivier","Enantioselective α-Arylation of O-Carbamates via Sparteine-Mediated Lithiation and Negishi Cross-Coupling.","Organic letters","2017","19","1","166","169","10.1021/acs.orglett.6b03472","","","1.54178","CuKα","","0.0262","0.026","","0.0544","0.0544","0.0544","","","","","","0.8942","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544963","7.8462","0.0004","11.066","0.0005","10.6654","0.0006","90","","112.684","0.003","90","","854.4","0.08","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O4 -","- C16 H27 N O4 -","- C32 H54 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1463","0.0683","","","0.1375","0.2071","","","","","","1.139","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544965","17.3672","0.0009","12.098","0.0006","10.2133","0.0006","90","","97.836","0.003","90","","2125.9","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H12 Cl7 F6 S2 Sb -","- C8 H12 Cl7 F6 S2 Sb -","- C32 H48 Cl28 F24 S8 Sb4 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations.","Organic letters","2017","19","1","2","5","10.1021/acs.orglett.6b02059","","","0.7749","synchrotron","","0.0418","0.0349","","","0.0694","0.0723","","","","","","1.028","","","","has coordinates","191409","2020-10-21","18:00:00",""
"1544966","9.0793","0.0009","10.4132","0.001","15.2584","0.0014","90","","90","","90","","1442.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.0455","0.0356","","","0.0818","0.0876","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544967","6.3817","0.0003","9.423","0.0004","28.5737","0.0012","90","","90","","90","","1718.27","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.044","0.0366","","","0.0814","0.0864","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544978","9.6591","0.0007","15.8903","0.0012","16.1514","0.0012","90","","91.983","0.007","90","","2477.5","0.3","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C116 H104 N8 O8 S4 -","4","1","","Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei","Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds.","Organic letters","2017","19","2","364","367","10.1021/acs.orglett.6b03542","","x-ray","0.71073","MoKα","","0.1318","0.0653","","","0.1251","0.1689","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544979","8.6521","0.0003","31.6804","0.0012","8.7706","0.0003","90","","106.944","0.001","90","","2299.68","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azidocyclopentane","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Dey, Raghunath; Banerjee, Prabal","Lewis Acid Catalyzed Diastereoselective Cycloaddition Reactions of Donor-Acceptor Cyclopropanes and Vinyl Azides: Synthesis of Functionalized Azidocyclopentane and Tetrahydropyridine Derivatives.","Organic letters","2017","19","2","304","307","10.1021/acs.orglett.6b03276","","","0.71073","MoKα","","0.158","0.0862","","","0.2005","0.2325","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544980","15.3377","0.0002","7.8683","0.0001","16.5282","0.0003","90","","100.698","0.0006","90","","1959.98","0.05","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(7aR*,12bS*)-6-Bromo-5,12b-dihydroxy-4,13-dimethoxy-7a-methyl-7H-naphth[2,1:b]fluolene-8,13-dione","","","- C24 H19 Br O6 -","- C24 H19 Br O6 -","- C96 H76 Br4 O24 -","4","1","","Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Skeletal Rearrangements of Polycyclic α-Ketols.","Organic letters","2017","19","2","301","303","10.1021/acs.orglett.6b03541","","","0.71075","MoKα","","0.0295","0.0269","","","0.0697","0.0712","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544981","6.9248","0.0004","10.1578","0.0006","12.5321","0.0006","75.761","0.003","75.876","0.005","79.427","0.005","821.43","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","6-Bromo-7a-methyl-7,7a-dihydro-5H-dibenzo[b,g]fluorene-5,8,13-trione","","","- C22 H13 Br O3 -","- C22 H13 Br O3 -","- C44 H26 Br2 O6 -","2","1","","Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Skeletal Rearrangements of Polycyclic α-Ketols.","Organic letters","2017","19","2","301","303","10.1021/acs.orglett.6b03541","","","0.71075","MoKα","","0.0479","0.0456","","","0.1174","0.119","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544990","8.878","0.003","12.26","0.003","21.373","0.006","90","","95.593","0.005","90","","2315.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, Anxin","Diamination/Oxidative Cross-Coupling/Bicyclization of Anilines and Methyl Ketones: Direct I2-Promoted Synthesis of 1,2-Fused Oxindoles.","Organic letters","2017","19","2","408","411","10.1021/acs.orglett.6b03636","","","0.71073","MoKα","","0.0994","0.0524","","","0.147","0.1848","","","","","","0.967","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545005","31.7209","0.0005","19.3373","0.0002","50.4748","0.0007","90","","96.0619","0.0014","90","","30787.9","0.7","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C301 H348 N8 O17 Zn -","- C301 H348 N8 O17 Zn -","- C1204 H1392 N32 O67.9998 Zn4 -","4","2","","Kohn, Daniel R.; Movsisyan, Levon D.; Thompson, Amber L.; Anderson, Harry L.","Porphyrin-Polyyne [3]- and [5]Rotaxanes.","Organic letters","2017","19","2","348","351","10.1021/acs.orglett.6b03528","","","0.6889","synchrotron","","0.1407","0.1236","","0.3567","0.3163","0.3567","","","","","","1.0067","","","","has coordinates,has disorder","191380","2020-10-21","18:00:00",""
"1545029","8.8456","0.0007","13.4959","0.0012","17.587","0.0017","92.181","0.004","98.685","0.004","106.652","0.003","1981.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 N O5.5 P -","- C20 H24 N O5.5 P -","- C80 H96 N4 O22 P4 -","4","4","","Suneja, Arun; Unhale, Rajshekhar A.; Singh, Vinod K.","Enantioselective Hydrophosphonylation of in Situ Generated N-Acyl Ketimines Catalyzed by BINOL-Derived Phosphoric Acid.","Organic letters","2017","19","3","476","479","10.1021/acs.orglett.6b03623","","","0.71073","MoKα","","0.0582","0.0492","","","0.1131","0.1175","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545066","9.3634","0.0006","5.3559","0.0003","13.9632","0.0008","90","","107.183","0.006","90","","668.99","0.07","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Lee, Melissa; Sanford, Melanie S.","Remote C(sp(3))-H Oxygenation of Protonated Aliphatic Amines with Potassium Persulfate.","Organic letters","2017","19","3","572","575","10.1021/acs.orglett.6b03731","","","1.54178","CuKα","","0.0628","0.0547","","","0.1525","0.1615","","","","","","0.975","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545067","8.5445","0.0001","9.1514","0.0002","19.7296","0.0004","90","","90","","90","","1542.74","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Maury, Julien; Zawodny, Wojciech; Clayden, Jonathan","Stereospecific Intramolecular Arylation of 2- and 3-Pyridyl Substituted Alkylamines via Configurationally Stable α-Pyridyl Organolithiums.","Organic letters","2017","19","3","472","475","10.1021/acs.orglett.6b03603","","","1.54178","CuKα","","0.0261","0.0247","","","0.0617","0.0623","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545087","11.0097","0.0003","13.4734","0.0003","18.182","0.0004","90","","97.777","0.002","90","","2672.28","0.11","294.98","0.11","294.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O -","- C36 H31 N O -","- C144 H124 N4 O4 -","4","1","","Tang, Junbin; Li, Shiqing; Liu, Zheng; Zhao, Yinsong; She, Zhijie; Kadam, Vilas D.; Gao, Ge; Lan, Jingbo; You, Jingsong","Cascade C-H Annulation of Aldoximes with Alkynes Using O2 as the Sole Oxidant: One-Pot Access to Multisubstituted Protoberberine Skeletons.","Organic letters","2017","19","3","604","607","10.1021/acs.orglett.6b03772","","x-ray","1.54184","CuKα","","0.0635","0.0534","","","0.1442","0.1572","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545110","9.7966","0.0006","10.1428","0.0007","13.7518","0.001","106.645","0.006","99.595","0.006","109.141","0.006","1184.44","0.17","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N2 O4 S -","- C27 H29 N2 O4 S -","- C54 H58 N4 O8 S2 -","2","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.1056","0.0686","","","0.1773","0.2132","","","","","","1.052","","","","has coordinates","191388","2020-10-21","18:00:00",""
"1545136","13.9189","0.0005","13.9189","0.0005","12.9169","0.0005","90","","90","","90","","2502.47","0.16","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H6 Br F3 O3 S -","- C11 H6 Br F3 O3 S -","- C88 H48 Br8 F24 O24 S8 -","8","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0313","0.0261","","","0.0591","0.0609","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545137","14.8431","0.0013","15.2118","0.0014","15.2461","0.0015","119.302","0.003","106.276","0.002","96.536","0.001","2749.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H43 Cl F15 N4 -","- C60.5 H43 Cl F15 N4 -","- C121 H86 Cl2 F30 N8 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1437","0.0668","","","0.172","0.2104","","","","","","0.925","","","","has coordinates","191389","2020-10-21","18:00:00",""
"1545138","13.8688","0.0012","15.3205","0.0013","15.3261","0.0015","119.469","0.003","93.117","0.001","105.428","0.002","2665.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H39 F15 N4 -","- C59 H42 F15 N4 -","- C118 H84 F30 N8 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1453","0.0834","","","0.2294","0.2746","","","","","","0.957","","","","has coordinates","191389","2020-10-21","18:00:00",""
"1545139","12.5205","0.0012","14.7808","0.0013","15.1296","0.0014","111.361","0.003","106.737","0.002","99.702","0.001","2376.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H24.5 Cl0.5 F15 N4 O -","- C52 H23.5 Cl0.5 F15 N4 O -","- C104 H47 Cl F30 N8 O2 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1591","0.0925","","","0.2659","0.3166","","","","","","1.042","","","","has coordinates,has disorder","191389","2020-10-21","18:00:00",""
"1545140","12.8025","0.0011","25.114","0.002","15.641","0.0014","90","","105.965","0.001","90","","4835","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Br F N4 O4.5 -","- C28 H20 Br F N4 O4.5 -","- C224 H160 Br8 F8 N32 O36 -","8","2","","Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane.","Organic letters","2017","19","3","646","649","10.1021/acs.orglett.6b03815","","","0.71073","MoKα","","0.0791","0.0539","","","0.1386","0.153","","","","","","1.026","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545141","8.2891","0.0011","10.319","0.0014","10.7253","0.0015","62.243","0.002","79.445","0.002","71.467","0.002","769.05","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br N3 O2 -","- C18 H14 Br N3 O2 -","- C36 H28 Br2 N6 O4 -","2","1","","Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane.","Organic letters","2017","19","3","646","649","10.1021/acs.orglett.6b03815","","","0.71073","MoKα","","0.0331","0.0294","","","0.0814","0.0832","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545160","12.0468","0.0011","6.2442","0.0004","16.9384","0.0013","90","","109.936","0.01","90","","1197.8","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","","Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng","ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.","Organic letters","2017","19","3","488","491","10.1021/acs.orglett.6b03642","","x-ray","0.71073","MoKα","","0.1008","0.0672","","","0.1535","0.18","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545161","5.0158","0.0003","12.9738","0.0011","21.6829","0.0017","93.089","0.007","94.326","0.005","93.543","0.006","1401.85","0.18","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","2","","Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng","ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.","Organic letters","2017","19","3","488","491","10.1021/acs.orglett.6b03642","","x-ray","0.71073","MoKα","","0.1222","0.0704","","","0.1652","0.2018","","","","","","1.043","","","","has coordinates","191390","2020-10-21","18:00:00",""
"1545165","18.8804","0.0008","7.5624","0.0003","18.9543","0.0008","90","","97.589","0.007","90","","2682.6","0.2","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O2 Si -","- C22 H34 N2 O2 Si -","- C88 H136 N8 O8 Si4 -","4","2","","Liu, Zijian; Takeuchi, Toshifumi; Pluta, Roman; Arteaga Arteaga, Fernando; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Alkylamides.","Organic letters","2017","19","3","710","713","10.1021/acs.orglett.6b03890","","","1.54187","CuKα","","0.0959","0.0649","","","0.1825","0.2095","","","","","","0.948","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545169","5.9062","0.0003","9.1377","0.0004","13.7532","0.0006","90","","90.423","0.002","90","","742.23","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-R-1-(benzyloxy)-5,5-dichloro-6-methylhept-2-yn-4-ol","","- C15 H18 Cl2 O2 -","- C15 H18 Cl2 O2 -","- C30 H36 Cl4 O4 -","2","1","","Sempere Molina, Yeshua; Ruchti, Jonathan; Carreira, Erick M.","Enantioselective Addition of Alkynes to α,α-Dichlorinated Aldehydes.","Organic letters","2017","19","4","743","745","10.1021/acs.orglett.6b03692","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0668","0.0689","","","","","","0.975","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545171","32.711","0.005","5.6403","0.0007","9.9643","0.0013","90","","107.296","0.003","90","","1755.3","0.4","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","Tsuchida-02","","","- C20 H17 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0496","0.0396","","","0.0972","0.1313","","","","","","1.241","","","","has coordinates","193647","2020-10-21","18:00:00",""
"1545172","10.5646","0.0016","6.8915","0.001","12.256","0.0017","90","","95.573","0.005","90","","888.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H17 Ag Cl N3 O S -","- C17 H17 Ag Cl N3 O S -","- C34 H34 Ag2 Cl2 N6 O2 S2 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.0712","0.05","","","0.1114","0.1215","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545173","9.6951","0.0015","5.6063","0.0009","17.751","0.003","90","","104.564","0.0019","90","","933.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 S2 -","- C28 H16 S2 -","- C56 H32 S4 -","2","0.5","","Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.","Organic letters","2017","19","4","826","829","10.1021/acs.orglett.6b03819","","","0.71073","MoKα","","0.0599","0.047","","","0.0951","0.1001","","","","","","1.101","","","","has coordinates,has disorder","193643","2020-10-21","18:00:00",""
"1545187","10.953","0.0002","26.2844","0.0006","9.7874","0.0002","90","","105.706","0.0014","90","","2712.52","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O4 S2 -","- C32 H27 N O4 S2 -","- C128 H108 N4 O16 S8 -","4","1","","Sinclair, Geoffrey S.; Yang, Tianyu; Wang, Sunmeng; Chen, Wei H.; Schipper, Derek J.","Copper-Mediated Nucleophilic Addition/Cascade Cyclization of Aryl Diynes.","Organic letters","2017","19","4","802","805","10.1021/acs.orglett.6b03787","","","0.71073","MoKα","","0.1839","0.0637","","","0.0923","0.1279","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545188","32.921","0.007","11.658","0.002","20.29","0.004","90","","118.58","0.03","90","","6838","3","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl3 N2 O3 P S -","- C35 H30 Cl3 N2 O3 P S -","- C280 H240 Cl24 N16 O24 P8 S8 -","8","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.1042","0.061","","","0.1582","0.1836","","","","","","1.036","","","","has coordinates,has disorder","193648","2020-10-21","18:00:00",""
"1545189","11.1099","0.0008","11.0682","0.0008","17.9212","0.0013","90","","99.233","0.001","90","","2175.2","0.3","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Zhou, Yong; Xia, Zi-Lei; Gu, Qing; You, Shu-Li","Chiral Phosphoric Acid Catalyzed Intramolecular Dearomative Michael Addition of Indoles to Enones.","Organic letters","2017","19","4","762","765","10.1021/acs.orglett.6b03610","","","0.71073","MoKα","","0.0532","0.0416","","","0.0955","0.1037","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545199","28.4985","0.0009","11.4777","0.0004","9.0995","0.0003","90","","103.188","0.001","90","","2897.92","0.17","215","2","215","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cl N O -","- C16 H16 Cl N O -","- C128 H128 Cl8 N8 O8 -","8","2","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","","1.54178","CuKα","","0.0438","0.0423","","","0.1148","0.1166","","","","","","1.061","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545204","10.0437","0.0004","16.2163","0.0008","15.9031","0.0007","90","","107.785","0.005","90","","2466.4","0.2","293.6","0.1","293.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Br N2 O2 S -","- C28 H23 Br N2 O2 S -","- C112 H92 Br4 N8 O8 S4 -","4","1","","Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei","Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds.","Organic letters","2017","19","2","364","367","10.1021/acs.orglett.6b03542","","x-ray","0.71073","MoKα","","0.097","0.0472","","","0.0757","0.0938","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545205","9.5799","0.0013","10.7564","0.0019","13.2894","0.0017","81.768","0.011","69.424","0.007","87.01","0.011","1268.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O3 S2 -","- C26 H28 Br N O3 S2 -","- C52 H56 Br2 N2 O6 S4 -","2","1","","Jia, Penghao; Zhang, Qinglong; Jin, Hongxing; Huang, You","[3 + 2]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hydroindol-5-ones Containing a Methylthio Group.","Organic letters","2017","19","2","412","415","10.1021/acs.orglett.6b03667","","","0.71073","MoKα","","0.0349","0.0281","","","0.0742","0.0755","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545206","16.9672","0.0019","16.6921","0.0019","21.14","0.003","90","","90","","90","","5987.2","1.3","173.15","","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N7 O9 S -","- C28 H33 N7 O9 S -","- C224 H264 N56 O72 S8 -","8","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0643","0.064","","","0.1531","0.1533","","","","","","1.285","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545207","13.313","0.0007","8.0185","0.0004","19.7281","0.0017","90","","98.183","0.006","90","","2084.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","1","","Li, Chen-Guang; Xu, Guo-Qiang; Xu, Peng-Fei","Synthesis of Fused Pyran Derivatives via Visible-Light-Induced Cascade Cyclization of 1,7-Enynes with Acyl Chlorides.","Organic letters","2017","19","3","512","515","10.1021/acs.orglett.6b03684","","","0.71073","MoKα","","0.125","0.066","","","0.1374","0.1786","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545208","7.207","0.0003","12.3158","0.0006","13.4327","0.0006","90","","93.4145","0.0012","90","","1190.17","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F3 O2 S -","- C14 H7 F3 O2 S -","- C56 H28 F12 O8 S4 -","4","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0383","0.0349","","","0.0927","0.096","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545209","7.8022","0.001","9.7161","0.0012","10.898","0.0013","72.849","0.011","74.617","0.011","74.654","0.011","745.38","0.17","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N5 O -","- C13 H25 N5 O -","- C26 H50 N10 O2 -","2","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","x-ray","0.71073","MoKα","","0.0816","0.0507","","","0.114","0.1357","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545210","14.5899","0.0006","10.9383","0.0003","21.1354","0.0011","90","","108.045","0.005","90","","3207.1","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C112 H152 N40 O24 S8 -","8","2","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.7107","MoKα","","0.0875","0.0602","","","0.1311","0.1454","","","","","","1.077","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545211","11.5604","0.0003","7.8775","0.0002","15.7761","0.0005","90","","92.698","0.003","90","","1435.09","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.71073","MoKα","","0.0485","0.0446","","","0.1238","0.1268","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545212","6.272","0.0005","7.7404","0.0006","40.175","0.003","90","","90","","90","","1950.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.0579","0.0434","","","0.0727","0.0783","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545213","12.0745","0.0003","23.3538","0.0007","5.9816","0.0002","90","","90","","90","","1686.72","0.09","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H49 N O6 -","- C40 H49 N O6 -","- C80 H98 N2 O12 -","2","0.5","","Huang, Xing-Hao; Tao, Ling-Xue; Ke, Chang-Qiang; Tang, Chunping; Zhang, Hai-Yan; Ye, Yang; Lin, Li-Gen; Yao, Sheng","Taxodikaloids A and B, Two Dimeric Abietane-Type Diterpenoids from Taxodium ascendens Possessing an Oxazoline Ring Linkage.","Organic letters","2017","19","3","556","559","10.1021/acs.orglett.6b03597","","","1.54184","CuKα","","0.0795","0.0733","","","0.2051","0.2116","","","","","","1.079","","","","has coordinates,has disorder","191305","2020-10-21","18:00:00",""
"1545214","9.831","0.002","11.92","0.002","16.719","0.003","90","","96.95","0.03","90","","1944.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Hu, Weigao; Li, Jiawei; Xu, Yanli; Li, Jianxiao; Wu, Wanqing; Liu, Haiyang; Jiang, Huanfeng","Palladium-Catalyzed Redox-Neutral N-O/C(sp(3))-H Functionalization of Aryl Oximes with Isocyanides.","Organic letters","2017","19","3","678","681","10.1021/acs.orglett.6b03852","","","0.71073","MoKα","","0.1173","0.064","","","0.1761","0.2392","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545215","15.8881","0.0009","5.8634","0.0003","21.5649","0.0012","90","","92.342","0.006","90","","2007.27","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 N O7.5 -","- C21.5 H21 N O7.5 -","- C86 H84 N4 O30 -","4","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.1115","0.0592","","","0.1302","0.1594","","","","","","1.034","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545216","9.2043","0.0012","19.51","0.003","12.5785","0.0017","90","","101.112","0.013","90","","2216.4","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N3 O4 -","- C25 H20 Cl N3 O4 -","- C100 H80 Cl4 N12 O16 -","4","2","","Maity, Rajendra; Gharui, Chandan; Sil, Arun K.; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael/Hemiketalization/Retro-aldol Reaction of α-Nitroketones with Unsaturated Pyrazolones: Synthesis of 3-Acyloxy Pyrazoles.","Organic letters","2017","19","3","662","665","10.1021/acs.orglett.6b03823","","","0.71073","MoKα","","0.087","0.0643","","","0.1727","0.1987","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545217","9.249","0.0002","10.7437","0.0003","19.2145","0.0004","90","","95.804","0.002","90","","1899.53","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O4 S2 -","- C19 H13 F3 O4 S2 -","- C76 H52 F12 O16 S8 -","4","1","","Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo","Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.","Organic letters","2017","19","4","838","841","10.1021/acs.orglett.6b03840","","","0.71073","MoKα","","0.1214","0.0886","","","0.2146","0.2345","","","","","","1.387","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545218","6.887","0.002","9.504","0.003","11.467","0.004","94.564","0.006","93.056","0.005","105.075","0.006","720.3","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Yang, Wei; Dong, Jinhuan; Wang, Jingyi; Xu, Xianxiu","Rh(III)-Catalyzed Diastereoselective Annulation of Amides with Quinone Monoacetals: Access to Bridged Nine-Membered Heterocycles via C-H Activation.","Organic letters","2017","19","3","616","619","10.1021/acs.orglett.6b03777","","","0.71073","MoKα","","0.0764","0.0552","","","0.1389","0.1608","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545219","5.8802","0.0006","14.1927","0.0013","16.3278","0.0015","90","","90","","90","","1362.7","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.107","0.0543","","","0.0936","0.1023","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545220","6.3717","0.0002","18.645","0.0004","22.0515","0.0005","90","","90","","90","","2619.73","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","","Hu, Zhengxi; Wu, Ye; Xie, Shuangshuang; Sun, Weiguang; Guo, Yi; Li, Xiao-Nian; Liu, Junjun; Li, Hua; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Phomopsterones A and B, Two Functionalized Ergostane-Type Steroids from the Endophytic Fungus Phomopsis sp. TJ507A.","Organic letters","2017","19","1","258","261","10.1021/acs.orglett.6b03557","","","1.54178","CuKα","","0.041","0.0397","","","0.1193","0.1208","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545221","7.6621","0.001","9.8166","0.0011","19.265","0.002","90","","101.448","0.007","90","","1420.2","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C40 H26 O6 -","- C40 H26 O6 -","- C80 H52 O12 -","2","1","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.1183","0.093","","","0.25","0.2975","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545222","10.818","0.003","14.183","0.004","15.569","0.004","90","","90","","90","","2388.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0539","0.0433","","","0.1074","0.1145","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545223","9.8491","0.0012","12.1471","0.0014","23.294","0.003","90","","97.907","0.003","90","","2760.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 S -","- C32 H30 N2 O2 S -","- C128 H120 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0959","0.0692","","","0.176","0.1957","","","","","","1.034","","","","has coordinates,has disorder","191315","2020-10-21","18:00:00",""
"1545224","9.4681","0.0007","10.7397","0.0008","17.004","0.0013","84.758","0.001","88.568","0.001","77.89","0.001","1683.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","2","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.0416","0.0344","","","0.085","0.0895","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545225","10.584","0.004","14.302","0.005","11.308","0.004","90","","110.207","0.004","90","","1606.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.1068","0.066","","","0.1693","0.202","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545226","48.988","0.004","4.6745","0.0005","18.3827","0.0017","90","","99.987","0.009","90","","4145.7","0.7","100","0.4","100","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C160 H256 N32 O32 -","8","1","","Babu, Kaki Raveendra; Zhu, Nengbo; Bao, Hongli","Iron-Catalyzed C-H Alkylation of Heterocyclic C-H Bonds.","Organic letters","2017","19","1","46","49","10.1021/acs.orglett.6b03287","","","1.54184","CuKα","","0.1184","0.0797","","","0.1898","0.2235","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545227","23.5226","0.0008","21.9096","0.0009","30.3857","0.0011","90","","102.06","0.0011","90","","15314.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83.88 H93 Cl4 N4 O6 -","- C83.875 H93 Cl4 N4 O6 -","- C671 H744 Cl32 N32 O48 -","8","2","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.71073","MoKα","","0.1058","0.0699","","","0.1983","0.2277","","","","","","1.044","","","","has coordinates,has disorder","191319","2020-10-21","18:00:00",""
"1545228","10.6275","0.0001","14.165","0.0002","15.0417","0.0002","90","","101.253","0.0009","90","","2220.82","0.05","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O7 S -","- C24 H22 N2 O7 S -","- C96 H88 N8 O28 S4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","0.71073","MoKα","","0.0545","0.0402","","0.1028","0.0958","0.1028","","","","","","0.9729","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545229","9.9367","0.0005","11.6098","0.0006","12.8011","0.0006","104.929","0.002","105.574","0.002","111.041","0.002","1220.44","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 N O2 S Si -","- C25 H35 N O2 S Si -","- C50 H70 N2 O4 S2 Si2 -","2","1","","Kim, Youngchan; Dateer, Ramesh B.; Chang, Sukbok","Borane-Catalyzed Selective Hydrosilylation of Internal Ynamides Leading to β-Silyl (Z)-Enamides.","Organic letters","2017","19","1","190","193","10.1021/acs.orglett.6b03485","","","0.71073","MoKα","","0.0513","0.0388","","","0.0935","0.1003","","","","","","0.953","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545230","11.204","0.004","16.267","0.005","7.421","0.002","90","","90","","90","","1352.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 F N O -","- C17 H14 F N O -","- C68 H56 F4 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.1393","0.0542","","","0.1425","0.1799","","","","","","0.985","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545231","7.5929","0.0003","11.2125","0.0005","23.7488","0.001","90","","90","","90","","2021.86","0.15","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 N O3 Si -","- C17 H31 N O3 Si -","- C68 H124 N4 O12 Si4 -","4","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0535","0.0476","","","0.1254","0.1285","","","","","","1.208","","","","has coordinates","191323","2020-10-21","18:00:00",""
"1545232","10.6064","0.0002","23.8323","0.0004","13.3936","0.0003","90","","98.0064","0.0012","90","","3352.57","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 N O3 Si -","- C38 H41 N O3 Si -","- C152 H164 N4 O12 Si4 -","4","2","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0536","0.0415","","","0.0992","0.1158","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545233","10.867","0.002","13.296","0.003","17.981","0.004","90","","90","","90","","2598","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N3 O2 -","- C26 H41 N3 O2 -","- C104 H164 N12 O8 -","4","1","","Qiu, Guanyinsheng; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Three-Component Reaction of Propargyl Carbonates, Isocyanides, and Alcohols or Water: Switchable Synthesis of Pyrroles and Its Bicyclic Analogues.","Organic letters","2017","19","1","270","273","10.1021/acs.orglett.6b03592","","","0.71073","MoKα","","0.1092","0.0572","","","0.091","0.1069","","","","","","1.157","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545234","7.1962","0.0005","9.4529","0.0007","16.5643","0.0012","99.095","0.006","99.786","0.006","91.947","0.006","1094.28","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi","One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.","Organic letters","2017","19","1","10","13","10.1021/acs.orglett.6b02850","","","0.71073","MoKα","","0.0829","0.061","","","0.1588","0.1804","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545235","11.8946","0.0009","7.631","0.0006","12.2455","0.001","90","","112.27","0.004","90","","1028.59","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1918","0.0901","","","0.1846","0.2607","","","","","","0.907","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545236","5.517","0.002","7.786","0.002","27.221","0.008","90","","90","","90","","1169.3","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bao, Deng-Hui; Gu, Xue-Song; Xie, Jian-Hua; Zhou, Qi-Lin","Iridium-Catalyzed Asymmetric Hydrogenation of Racemic β-Keto Lactams via Dynamic Kinetic Resolution.","Organic letters","2017","19","1","118","121","10.1021/acs.orglett.6b03397","","","1.54187","CuKα","","0.0301","0.029","","","0.0773","0.0794","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545237","20.629","0.005","9.174","0.0019","16.177","0.004","90","","103.101","0.006","90","","2981.8","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'trans-3-Methyl-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1H-benzo[d] azepine-1-carboxylic acid'","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Adamovskyi, Mykhailo I.; Ryabukhin, Sergey V.; Sibgatulin, Dmitriy A.; Rusanov, Eduard; Grygorenko, Oleksandr O.","Beyond the Five and Six: Evaluation of Seven-Membered Cyclic Anhydrides in the Castagnoli-Cushman Reaction.","Organic letters","2017","19","1","130","133","10.1021/acs.orglett.6b03426","","","0.71073","MoKα","","0.0983","0.06","","","0.1455","0.1704","","","","","","1.016","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545238","16.515","0.0006","29.077","0.001","19.3491","0.0007","90","","110.59","0.002","90","","8698","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38.625 H55 N2 O14.875 -","- C38.625 H55 N2 O14.875 -","- C309 H440 N16 O119 -","8","4","","Williams, David E.; Dalisay, Doralyn S.; Chen, Jessie; Polishchuck, Elena A.; Patrick, Brian O.; Narula, Gagandeep; Ko, Mary; Av-Gay, Yossef; Li, Haoxin; Magarvey, Nathan; Andersen, Raymond J.","Aminorifamycins and Sporalactams Produced in Culture by a Micromonospora sp. Isolated from a Northeastern-Pacific Marine Sediment Are Potent Antibiotics.","Organic letters","2017","19","4","766","769","10.1021/acs.orglett.6b03619","","x-ray","1.54178","CuKα","","0.0685","0.0629","","","0.1698","0.1762","","","","","","1.029","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545240","15.39008","0.00013","16.17413","0.0001","18.85694","0.00014","90","","104.129","0.0008","90","","4551.9","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 N8 O9.5 Pd2 -","- C44.15 H28.15 N8 O9.5 Pd2 -","- C176.6 H112.6 N32 O38 Pd8 -","4","1","","Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz","Selective C(sp(2))-H Halogenation of ""Click"" 4-Aryl-1,2,3-triazoles.","Organic letters","2017","19","4","962","965","10.1021/acs.orglett.7b00275","","","1.5418","CuKα","","0.0602","0.0567","","","0.1568","0.1608","","","","","","1.057","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545253","5.5613","0.0011","12.363","0.003","13.729","0.003","97.92","0.03","99.81","0.03","99.47","0.03","904","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F13 O2 -","- C16 H9 F13 O2 -","- C32 H18 F26 O4 -","2","1","","Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.","Organic letters","2017","19","5","1008","1011","10.1021/acs.orglett.6b03865","","","0.71073","MoKα","","0.2112","0.155","","","0.4315","0.4729","","","","","","1.628","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545254","10.8723","0.0002","8.4197","0.0002","14.4418","0.0003","90","","93.434","0.001","90","","1319.65","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O9 S -","- C26 H29 N O9 S -","- C52 H58 N2 O18 S2 -","2","1","","Probst, Nicolas; Martin, Amélie; Désiré, Jérôme; Mingot, Agnès; Marrot, Jérôme; Blériot, Yves; Thibaudeau, Sébastien","HF-Induced Intramolecular C-Arylation and C-Alkylation/Fluorination of 2-Aminoglycopyranoses.","Organic letters","2017","19","5","1040","1043","10.1021/acs.orglett.7b00003","","","0.71073","MoKα","","0.0662","0.0485","","","0.1103","0.1197","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545272","15.3952","0.0008","13.019","0.0006","38.748","0.002","90","","90","","90","","7766.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Br4 Fe N2 -","- C11 H23 Br4 Fe N2 -","- C176 H368 Br64 Fe16 N32 -","16","2","","Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi","Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation.","Organic letters","2017","19","5","1132","1135","10.1021/acs.orglett.7b00148","","","0.71073","MoKα","","0.1576","0.0661","","","0.137","0.1629","","","","","","0.89","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545276","8.5085","0.0009","10.5638","0.0012","23.179","0.003","90","","92.665","0.002","90","","2081.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O6 S2 -","- C22 H19 N O6 S2 -","- C88 H76 N4 O24 S8 -","4","1","","Xie, Jian; Wang, Yue-Wei; Qi, Lian-Wen; Zhang, Bo","Access to Aminated Saturated Oxygen Heterocycles via Copper-Catalyzed Aminooxygenation of Alkenes.","Organic letters","2017","19","5","1148","1151","10.1021/acs.orglett.7b00182","","","0.71073","MoKα","","0.0469","0.037","","","0.0952","0.1012","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545277","9.4759","0.0007","9.4759","0.0007","16.7019","0.0011","90","","90","","120","","1298.79","0.16","150","2","150","2","","","","","","","synthesized by the authors","4","P 31","P 31","144","","","","- C18 H26 N2 O4 -","- C18 H26 N2 O4 -","- C54 H78 N6 O12 -","3","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0375","0.0351","","","0.0945","0.0962","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545278","6.3152","0.0003","16.8108","0.0008","8.4777","0.0004","90","","101.693","0.001","90","","881.35","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C38 H50 N6 O8 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0271","0.0271","","","0.0681","0.0681","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545279","10.2983","0.0009","10.3586","0.0009","10.9392","0.001","89.722","0.007","67.73","0.008","85.303","0.007","1075.84","0.18","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C48 H58 N6 -","2","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1173","0.0619","","","0.1276","0.1574","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545285","8.75219","0.00016","11.3668","0.0002","19.708","0.0004","90","","90","","90","","1960.64","0.06","290.47","0.1","290.47","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","x-ray","1.54184","CuKα","","0.0462","0.0422","","","0.1166","0.1203","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545286","8.803","0.004","9.88","0.004","13.538","0.006","73.731","0.009","73.897","0.011","69.965","0.009","1040.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","","0.71073","MoKα","","0.0588","0.0447","","","0.1472","0.1848","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545303","12.17","0.006","11.066","0.006","8.455","0.004","90","","109.476","0.01","90","","1073.5","0.9","566","2","566","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach.","Organic letters","2017","19","5","1056","1059","10.1021/acs.orglett.7b00068","","","0.71073","MoKα","","0.0973","0.0866","","","0.2872","0.3137","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545304","8.502","0.002","25.02","0.005","32.864","0.007","90","","90","","90","","6991","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N0 O3 -","- C20 H28 O3 -","- C320 H448 O48 -","16","4","","Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui","Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone.","Organic letters","2017","19","5","1168","1171","10.1021/acs.orglett.7b00204","","","1.54187","CuKα","","0.1396","0.0955","","","0.2228","0.2496","","","","","","0.997","","","","has coordinates","193630","2020-10-21","18:00:00",""
"1545311","7.8452","0.0003","3.9073","0.0002","36.549","0.0015","90","","93.5525","0.0013","90","","1118.2","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PDJXC1-44","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.","Synthesis of Fluorenones from Benzaldehydes and Aryl Iodides: Dual C-H Functionalizations Using a Transient Directing Group.","Organic letters","2017","19","5","1140","1143","10.1021/acs.orglett.7b00161","","","1.54178","CuKα","","0.0347","0.0321","","","0.0818","0.0844","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545321","12.562","0.004","7.6332","0.0015","19.11","0.005","90","","107.74","0.009","90","","1745.3","0.8","98","","98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0583","0.0418","","","0.1125","0.1189","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545322","7.4785","0.0004","10.0969","0.0005","11.6506","0.0006","72.828","0.005","89.259","0.004","77.332","0.004","818.79","0.08","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C42 H40 O6 -","2","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","x-ray","0.71073","MoKα","","0.0423","0.0392","","","0.1001","0.1029","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545323","7.9588","0.0009","5.6834","0.0006","17.1239","0.0019","90","","90.062","0.002","90","","774.57","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","1","","Li, Guo-Tai; Li, Zhi-Ke; Gu, Qing; You, Shu-Li","Asymmetric Synthesis of 4-Aryl-3,4-dihydrocoumarins by N-Heterocyclic Carbene Catalyzed Annulation of Phenols with Enals.","Organic letters","2017","19","6","1318","1321","10.1021/acs.orglett.7b00088","","","0.71073","MoKα","","0.0334","0.0317","","","0.0888","0.0908","","","","","","0.999","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545324","8.71","0.006","16.465","0.009","9.372","0.005","90","","103.207","0.014","90","","1308.5","1.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.066","0.0414","","","0.0918","0.0993","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545325","14.658","0.006","7.843","0.003","14.692","0.006","90","","109.942","0.008","90","","1587.8","1.1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 N3 O2 -","- C40 H39 N3 O2 -","- C80 H78 N6 O4 -","2","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.082","0.0491","","","0.1014","0.12","","","","","","0.99","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545327","8.7385","0.0001","8.77985","0.00012","65.4284","0.0006","90","","90","","90","","5019.84","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H30 N2 O4.5 -","- C30.5 H30 N2 O4.5 -","- C244 H240 N16 O36 -","8","2","","Rees, Matthew; Simpkins, Nigel S.; Male, Louise","An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family.","Organic letters","2017","19","6","1338","1341","10.1021/acs.orglett.7b00193","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1081","0.1085","","","","","","1.102","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545328","9.1592","0.0018","6.7731","0.0012","16.695","0.003","90","","100.414","0.009","90","","1018.6","0.3","273","","273","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C50 H50 N2 O4 -","2","0.5","","Kaida, Hiroyuki; Goya, Tsuyoshi; Nishii, Yuji; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Construction of Bisbenzofuro[2,3-b:3',2'-e]pyridines by Palladium-Catalyzed Double Intramolecular Oxidative C-H/C-H Coupling.","Organic letters","2017","19","5","1236","1239","10.1021/acs.orglett.7b00323","","","0.71075","MoKα","","0.073","0.0567","","","0.1337","0.1447","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545330","17.0239","0.0005","9.347","0.0003","25.566","0.0006","90","","105.901","0.002","90","","3912.5","0.2","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cl3 I N O2 -","- C18 H15 Cl3 I N O2 -","- C144 H120 Cl24 I8 N8 O16 -","8","1","","Wu, Xiaowei; Wang, Bao; Zhou, Yu; Liu, Hong","Propargyl Alcohols as One-Carbon Synthons: Redox-Neutral Rhodium(III)-Catalyzed C-H Bond Activation for the Synthesis of Isoindolinones Bearing a Quaternary Carbon.","Organic letters","2017","19","6","1294","1297","10.1021/acs.orglett.7b00089","","","0.71073","MoKα","","0.035","0.03","","","0.1093","0.1124","","","","","","1.123","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545331","8.7367","0.0014","10.0971","0.0016","11.6822","0.0019","106.933","0.002","90.765","0.002","108.096","0.002","931","0.3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H14 S2 -","- C28 H14 S2 -","- C56 H28 S4 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.1091","0.0486","","","0.0935","0.1083","","","","","","0.906","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545332","11.4244","0.0008","12.1615","0.0008","15.7616","0.0011","90","","106.018","0.001","90","","2104.9","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 S2 -","- C29 H18 S2 -","- C116 H72 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0928","0.0512","","","0.1407","0.1557","","","","","","0.981","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545333","12.2546","0.0002","15.9304","0.0002","12.3845","0.0002","90","","106.387","0.001","90","","2319.5","0.06","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0781","0.0403","","","0.1042","0.115","","","","","","0.947","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545334","9.0815","0.0007","9.8004","0.0007","25.2369","0.0018","90","","93.118","0.001","90","","2242.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.054","0.0448","","","0.1217","0.1307","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545335","12.0014","0.0002","14.5055","0.0002","12.1322","0.0002","90","","114.591","0.001","90","","1920.49","0.05","295.65","0.02","295.65","0.02","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 S2 -","- C28 H14 S2 -","- C112 H56 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0938","0.0499","","","0.1388","0.152","","","","","","0.913","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545336","10.2837","0.0002","14.8777","0.0002","10.9847","0.0002","90","","102.391","0.001","90","","1641.49","0.05","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.1325","0.0598","","","0.1711","0.1932","","","","","","0.853","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545337","8.32","0.003","3.9035","0.0014","21.515","0.008","90","","91.08","0.005","90","","698.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 S -","- C22 H12 S -","- C44 H24 S2 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0779","0.0641","","","0.1798","0.1911","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545392","16.6466","0.0005","5.644","0.0002","13.4475","0.0004","90","","124.53","0.001","90","","1040.86","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0421","0.0351","","","0.0748","0.0779","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545393","9.2526","0.0004","9.5299","0.0004","11.8393","0.0004","90","","100.902","0.001","90","","1025.11","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0616","0.0404","","","0.0852","0.0931","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545394","10.7132","0.0006","5.9764","0.0003","28.5202","0.0017","90","","93.062","0.004","90","","1823.44","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","2","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","1.54178","CuKα","","0.0692","0.0469","","","0.0925","0.1002","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545395","16.3801","0.0005","5.9374","0.0002","13.2895","0.0004","90","","123.907","0.001","90","","1072.69","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0405","0.0343","","","0.0767","0.079","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545396","7.454","0.0004","7.9852","0.0004","12.3366","0.0006","78.039","0.002","87.32","0.002","63.031","0.002","639.29","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan","Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones.","Organic letters","2017","19","6","1330","1333","10.1021/acs.orglett.7b00178","","","1.54178","CuKα","","0.0303","0.0301","","","0.0764","0.0766","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545397","7.3942","0.0002","9.7789","0.0003","12.8841","0.0009","104.277","0.007","95.031","0.007","106.485","0.007","853.17","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C40 H32 F6 N2 O4 -","2","1","","Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan","Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones.","Organic letters","2017","19","6","1330","1333","10.1021/acs.orglett.7b00178","","","1.54178","CuKα","","0.0909","0.0667","","","0.1586","0.1989","","","","","","1.249","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545398","10.4466","0.0006","4.1414","0.0002","29.012","0.0018","90","","94.984","0.003","90","","1250.42","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.1047","0.0542","","","0.1563","0.2068","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545399","13.8557","0.0017","4.7327","0.0005","19.297","0.002","90","","98.406","0.004","90","","1251.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C48 H60 N4 O24 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0486","0.0359","","","0.0858","0.092","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545400","9.364","0.006","9.834","0.004","11.19","0.005","109.122","0.009","91.307","0.011","110.73","0.009","899.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O6 -","- C19 H15 F3 N2 O6 -","- C38 H30 F6 N4 O12 -","2","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0873","0.0583","","","0.144","0.1632","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545401","7.3857","0.0012","13.44","0.002","33.366","0.005","90","","90.245","0.008","90","","3312","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O6 -","- C18 H15 F N2 O6 -","- C144 H120 F8 N16 O48 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0612","0.0412","","","0.1152","0.1439","","","","","","1.134","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545402","20.8281","0.0011","4.7751","0.0002","16.9177","0.0008","90","","90","","90","","1682.57","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0618","0.0432","","","0.1152","0.1427","","","","","","1.101","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545403","11.694","0.004","14.981","0.006","13.855","0.005","90","","94.039","0.011","90","","2421.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0871","0.0515","","","0.1267","0.1476","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545404","10.6032","0.0008","14.4941","0.0012","21.7899","0.0018","90","","91.159","0.003","90","","3348.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O7 -","- C15 H20 N2 O7 -","- C120 H160 N16 O56 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.1143","0.0736","","","0.1945","0.2254","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545405","4.6736","0.0006","17.606","0.002","19.17","0.003","90","","90","","90","","1577.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O8 -","- C15 H17 N3 O8 -","- C60 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0326","0.0266","","","0.0744","0.0931","","","","","","1.188","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545406","4.8748","0.0008","17.909","0.003","23.571","0.004","90","","90","","90","","2057.8","0.6","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C88 H80 N16 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.051","0.0385","","","0.0844","0.0903","","","","","","1.106","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545407","7.9012","0.0007","20.4333","0.0018","8.2112","0.0006","90","","93.865","0.007","90","","1322.66","0.19","169.8","","169.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl F3 N O2 -","- C13 H13 Cl F3 N O2 -","- C52 H52 Cl4 F12 N4 O8 -","4","1","","Bai, Peng; Li, Ya-Qiong; Huang, Zhi-Zhen","A Four-Component Cascade C-H Functionalization/Cyclization/Nucleophilic Substitution Reaction To Construct α-Functionalized Tetrahydroquinolines by the Strategy of in Situ Directing Group Formation.","Organic letters","2017","19","6","1374","1377","10.1021/acs.orglett.7b00226","","","0.71073","MoKα","","0.0638","0.043","","","0.0922","0.1063","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545408","8.7285","0.0001","11.2868","0.0001","42.4644","0.0004","90","","90","","90","","4183.46","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H66 Na O13 -","- C41 H59 Na O13 -","- C164 H236 Na4 O52 -","4","1","","Igarashi, Yasuhiro; Matsuoka, Noriaki; In, Yasuko; Kataura, Tetsushi; Tashiro, Etsu; Saiki, Ikuo; Sudoh, Yuri; Duangmal, Kannika; Thamchaipenet, Arinthip","Nonthmicin, a Polyether Polyketide Bearing a Halogen-Modified Tetronate with Neuroprotective and Antiinvasive Activity from Actinomadura sp.","Organic letters","2017","19","6","1406","1409","10.1021/acs.orglett.7b00318","","","1.54184","CuKα","","0.0379","0.0359","","","0.1061","0.1082","","","","","","1.027","","","","has coordinates","194885","2020-10-21","18:00:00",""
"1545425","6.6697","0.0003","12.9985","0.0005","10.514","0.0004","90","","92.171","0.001","90","","910.87","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C38 H52 N4 O10 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0337","0.0318","","","0.0771","0.0786","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545426","8.6924","0.0002","9.2483","0.0002","21.1651","0.0005","90","","90","","90","","1701.46","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C72 H96 N8 O12 -","4","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0338","0.0317","","","0.0829","0.0849","","","","","","1.041","","","","has coordinates","193349","2020-10-21","18:00:00",""
"1545427","11.627","0.002","32.192","0.006","8.9821","0.0018","90","","90","","90","","3362","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O14 -","- C31 H40 O14 -","- C124 H160 O56 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0727","0.0713","","","0.1973","0.1988","","","","","","1.073","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545428","8.6631","0.0005","12.2511","0.0006","27.7132","0.0016","90","","90","","90","","2941.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O12 -","- C30 H38 O12 -","- C120 H152 O48 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0618","0.0522","","","0.1344","0.1408","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545429","11.8946","0.0009","18.6719","0.0014","7.5647","0.0005","90","","90","","90","","1680.1","0.2","223","","223.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun","Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones.","Organic letters","2017","19","5","1248","1251","10.1021/acs.orglett.7b00458","","","0.71073","MoKα","","0.0714","0.0442","","","0.1079","0.1392","","","","","","0.9101","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545430","10.697","0.003","14.116","0.007","18.102","0.009","90","","90","","90","","2733","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 N O2 P -","- C35 H26 N O2 P -","- C140 H104 N4 O8 P4 -","4","1","","Xu, Jian; Yu, Xiaoxia; Song, Qiuling","Silver-Catalyzed Radical-Involved Cascade Cyclization of Diphenylphosphine with Cinnamamides: Access to 2-Phosphinoyl-3H-pyrrolo[1,2-a]indoles.","Organic letters","2017","19","5","980","983","10.1021/acs.orglett.6b03713","","x-ray","0.71073","MoKα","","0.1866","0.0741","","","0.1436","0.2004","","","","","","0.975","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545431","9.239","0.003","9.369","0.002","13.014","0.003","69.214","0.006","85.843","0.009","82.923","0.011","1044.6","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H9.5 F1.5 O2 S -","- C11 H9.5 F1.5 O2 S -","- C44 H38 F6 O8 S4 -","4","4","","Zhao, Bo-Liang; Du, Da-Ming","Enantioselective Squaramide-Catalyzed Trifluoromethylthiolation-Sulfur-Michael/Aldol Cascade Reaction: One-Pot Synthesis of CF3S-Containing Spiro Cyclopentanone-Thiochromanes.","Organic letters","2017","19","5","1036","1039","10.1021/acs.orglett.6b03846","","","0.71073","MoKα","","0.0353","0.0327","","","0.0695","0.0708","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545432","10.906","0.002","13.6","0.002","24.805","0.005","90","","92.535","0.007","90","","3675.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N4 O3 -","- C46 H38 N4 O3 -","- C184 H152 N16 O12 -","4","1","","Li, Yi-Jin; Yan, Na; Liu, Chun-Hua; Yu, Yang; Zhao, Yu-Long","Gold/Copper-Co-catalyzed Tandem Reactions of 2-Alkynylanilines: A Synthetic Strategy for the C2-Quaternary Indolin-3-ones.","Organic letters","2017","19","5","1160","1163","10.1021/acs.orglett.7b00200","","","0.71073","MoKα","","0.0539","0.0465","","","0.1361","0.1461","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545433","6.0241","0.0005","10.6352","0.0008","26.263","0.002","90","","90","","90","","1682.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Yuan, Qianjia; Liu, Delong; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of β,γ-Unsaturated γ-Lactams: Scope and Mechanistic Studies.","Organic letters","2017","19","5","1144","1147","10.1021/acs.orglett.7b00171","","","0.71073","MoKα","","0.0574","0.0376","","","0.0683","0.0749","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545434","22.3549","0.0008","14.4762","0.0005","16.9648","0.0006","90","","121.65","0.0008","90","","4673.5","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N3 O3 S -","- C26 H25 N3 O3 S -","- C208 H200 N24 O24 S8 -","8","1","","Zeng, Zhongyi; Jin, Hongming; Xie, Jin; Tian, Bing; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","α-Imino Gold Carbenes from 1,2,4-Oxadiazoles: Atom-Economical Access to Fully Substituted 4-Aminoimidazoles.","Organic letters","2017","19","5","1020","1023","10.1021/acs.orglett.7b00001","","","0.71073","MoKα","","0.0631","0.045","","","0.1202","0.1304","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545435","16.7256","0.001","12.4161","0.0007","25.1262","0.0014","90","","90","","90","","5217.9","0.5","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C208 H272 N16 O48 -","16","4","","Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M.","Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives.","Organic letters","2017","19","5","988","991","10.1021/acs.orglett.6b03789","","","0.71073","MoKα","","0.0737","0.0452","","","0.081","0.089","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545436","5.5051","0.0003","9.661","0.0004","12.4968","0.0006","81.35","0.004","80.175","0.004","82.598","0.004","643.8","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F2 N O5 -","- C13 H13 F2 N O5 -","- C26 H26 F4 N2 O10 -","2","1","","Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.","Organic letters","2017","19","5","1008","1011","10.1021/acs.orglett.6b03865","","x-ray","1.54184","CuKα","","0.0698","0.0684","","","0.168","0.1688","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545437","7.7792","0.001","11.9136","0.0013","25.989","0.003","90","","90","","90","","2408.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O3 -","- C12 H12 Br N O3 -","- C96 H96 Br8 N8 O24 -","8","1","","Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min","Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds.","Organic letters","2017","19","5","1124","1127","10.1021/acs.orglett.7b00040","","x-ray","0.71073","MoKα","","0.1852","0.1015","","","0.243","0.3221","","","","","","0.974","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545438","7.519","0.0006","8.0121","0.0006","15.9597","0.0011","90","","103.624","0.007","90","","934.41","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1021","0.0657","","","0.1739","0.2025","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545439","10.5287","0.0007","13.0679","0.0008","14.2874","0.0008","90","","95.724","0.002","90","","1956","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1021","0.0614","","","0.1499","0.1775","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545440","9.6338","0.0003","11.7849","0.0004","14.3792","0.0004","103.583","0.002","97.723","0.002","92.687","0.002","1567.24","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Br N3 O4 S2 -","- C32 H35 Br N3 O4 S2 -","- C64 H70 Br2 N6 O8 S4 -","2","1","","Crespin, Lorène; Biancalana, Lorenzo; Morack, Tobias; Blakemore, David C.; Ley, Steven V.","One-Pot Acid-Catalyzed Ring-Opening/Cyclization/Oxidation of Aziridines with N-Tosylhydrazones: Access to 1,2,4-Triazines.","Organic letters","2017","19","5","1084","1087","10.1021/acs.orglett.7b00101","","","1.54178","CuKα","","0.0653","0.0486","","","0.1159","0.1266","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545441","6.441","0.003","6.505","0.003","25.382","0.014","90","","93.324","0.014","90","","1061.7","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach.","Organic letters","2017","19","5","1056","1059","10.1021/acs.orglett.7b00068","","","0.71073","MoKα","","0.1526","0.1314","","","0.4358","0.5268","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545442","20.31","0.003","9.9126","0.0015","22.301","0.004","90","","105.025","0.002","90","","4336.3","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N5 O4 S -","- C22 H25 N5 O4 S -","- C176 H200 N40 O32 S8 -","8","1","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0478","0.0417","","","0.1032","0.1084","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545443","9.067","0.003","8.352","0.003","13.405","0.004","90","","90.005","0.005","90","","1015.1","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","2","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0406","0.0384","","","0.0903","0.0918","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545444","16.7882","0.0007","10.054","0.0004","17.3664","0.0007","90","","91.709","0.002","90","","2929.9","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br2 N O11 -","- C29 H21 Br2 N O11 -","- C116 H84 Br8 N4 O44 -","4","2","","Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas","A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin.","Organic letters","2017","19","5","1156","1159","10.1021/acs.orglett.7b00194","","","1.54178","CuKα","","0.0392","0.0385","","","0.0936","0.094","","","","","","1.154","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545445","10.43","0.005","11.137","0.005","12.934","0.005","68.18","0.03","67.74","0.03","70.59","0.03","1258.3","1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C56 H52 N4 O10 S2 -","2","1","","Zhang, Shuyao; Cheng, Beiming; Wang, Shen-An; Zhou, Ling; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu","Gold-Catalyzed Cycloisomerization/1,5-H Migration/Diels-Alder Reaction Cascade: Synthesis of Complex Nitrogen-Containing Heterocycles.","Organic letters","2017","19","5","1072","1075","10.1021/acs.orglett.7b00090","","","0.71073","MoKα","","0.1289","0.064","","","0.1543","0.1907","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545446","7.028","0.0008","19.93","0.002","33.434","0.003","90","","90","","90","","4683","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C108 H216 B120 N24 O12 -","12","3","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.1876","0.0851","","","0.2048","0.2616","","","","","","0.941","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545447","7.0584","0.0008","12.616","0.0014","21.271","0.003","90","","97.699","0.002","90","","1877.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 N2 -","- C12 H24 B10 N2 -","- C48 H96 B40 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0745","0.0518","","","0.1414","0.1573","","","","","","1.041","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545448","7.547","0.003","20.473","0.009","9.936","0.004","90","","97.113","0.007","90","","1523.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 B10 Br N2 -","- C8 H15 B10 Br N2 -","- C32 H60 B40 Br4 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0751","0.0507","","","0.1392","0.1526","","","","","","1.007","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545449","7.5719","0.0014","20.281","0.004","10.3153","0.0018","90","","95.029","0.003","90","","1578","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B10 N2 -","- C10 H16 B10 N2 -","- C40 H64 B40 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0836","0.053","","","0.1572","0.1882","","","","","","1.034","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545450","9.9538","0.0006","11.0301","0.0008","15.5083","0.0009","78.631","0.005","74.036","0.005","64.658","0.006","1473.29","0.18","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H13 Br F N3 -","- C16 H13 Br F N3 -","- C64 H52 Br4 F4 N12 -","4","2","","Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz","Selective C(sp(2))-H Halogenation of ""Click"" 4-Aryl-1,2,3-triazoles.","Organic letters","2017","19","4","962","965","10.1021/acs.orglett.7b00275","","x-ray","1.5418","CuKα","","0.0817","0.0577","","","0.1587","0.1778","","","","","","0.976","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545451","10.6471","0.0008","17.0945","0.0012","17.2371","0.0012","90","","90","","90","","3137.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl3 N2 O4 S2 -","- C29 H33 Cl3 N2 O4 S2 -","- C116 H132 Cl12 N8 O16 S8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Pecorari, Daniel; Caruana, Lorenzo; Mazzanti, Andrea; Bernardi, Luca; Fochi, Mariafrancesca","Nucleophilic Dearomatization of Pyridines under Enamine Catalysis: Regio-, Diastereo-, and Enantioselective Addition of Aldehydes to Activated N-Alkylpyridinium Salts.","Organic letters","2017","19","4","834","837","10.1021/acs.orglett.6b03824","","","0.71073","MoKα","","0.0773","0.0735","","","0.2111","0.2165","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545452","5.7538","0.0003","17.7715","0.001","15.5029","0.001","90","","96.093","0.005","90","","1576.27","0.16","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Rao, Santhosh; Prabhu, Kandikere Ramaiah","Gold-Catalyzed [2,3]-Sigmatropic Rearrangement: Reaction of Aryl Allyl Alcohols with Diazo Compounds.","Organic letters","2017","19","4","846","849","10.1021/acs.orglett.6b03836","","x-ray","0.71073","MoKα","","0.0823","0.0601","","","0.1299","0.1437","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545453","20.153","0.003","7.6811","0.0012","14.612","0.002","90","","107.931","0.002","90","","2152","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 S2 -","- C28 H20 S2 -","- C112 H80 S8 -","4","0.5","","Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.","Organic letters","2017","19","4","826","829","10.1021/acs.orglett.6b03819","","","0.71073","MoKα","","0.037","0.0332","","","0.0838","0.0868","","","","","","1.051","","","","has coordinates,has disorder","193372","2020-10-21","18:00:00",""
"1545454","8.5547","0.0008","20.782","0.002","21.537","0.002","90","","90","","90","","3828.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21.87 H14.18 Br N O S -","- C21.87 H14.18 Br N O S -","- C174.96 H113.44 Br8 N8 O8 S8 -","8","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","","0.71073","MoKα","","0.0936","0.0572","","","0.1512","0.1724","","","","","","1.043","","","","has coordinates,has disorder","193373","2020-10-21","18:00:00",""
"1545455","12.6933","0.0004","7.6526","0.0002","15.0369","0.0005","90","","113.961","0.002","90","","1334.76","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.0963","0.1029","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545456","20.6221","0.0009","5.5829","0.0002","16.5354","0.0007","90","","112.431","0.001","90","","1759.7","0.12","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl O S -","- C21 H17 Cl O S -","- C84 H68 Cl4 O4 S4 -","4","1","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","x-ray","1.54178","CuKα","","0.0355","0.0347","","","0.0942","0.0951","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545457","9.0392","0.0006","14.708","0.0009","15.6959","0.001","90","","90","","90","","2086.7","0.2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl F N2 O4 S -","- C23 H16 Cl F N2 O4 S -","- C92 H64 Cl4 F4 N8 O16 S4 -","4","1","","Zhang, Bobo; Zhang, Xiang; Hu, Bei; Sun, Desong; Wang, Senlin; Zhang-Negrerie, Daisy; Du, Yunfei","PhI(OCOCF3)2-Mediated Construction of a 2-Spiropseudoindoxyl Skeleton via Cascade Annulation of 2-Sulfonamido-N-phenylpropiolamide Derivatives.","Organic letters","2017","19","4","902","905","10.1021/acs.orglett.7b00058","","","0.71073","MoKα","","0.0218","0.0214","","","0.0579","0.0581","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545458","14.1257","0.0003","11.68","0.0002","22.185","0.0005","90","","97.966","0.001","90","","3624.94","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 O4 P2 -","- C43 H36 O4 P2 -","- C172 H144 O16 P8 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.1168","0.0525","","","0.1284","0.1542","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545459","9.0525","0.0012","8.6536","0.0012","10.8768","0.0014","90","","108.402","0.002","90","","808.48","0.19","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","FC-4d","","","- C18 H14 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C36 H30 Br2 N4 O4 -","2","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0264","0.0239","","","0.0572","0.0581","","","","","","1.008","","","","has coordinates","193378","2020-10-21","18:00:00",""
"1545460","16.642","0.016","13.249","0.012","10.403","0.01","90","","106.747","0.013","90","","2196","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O6 -","- C26 H21 N O6 -","- C104 H84 N4 O24 -","4","1","","Li, Xuanyi; Han, Chunhua; Yao, Hequan; Lin, Aijun","Organocatalyzed [3 + 2] Annulation of Cyclopropenones and β-Ketoesters: An Approach to Substituted Butenolides with a Quaternary Center.","Organic letters","2017","19","4","778","781","10.1021/acs.orglett.6b03737","","","0.71073","MoKα","","0.1022","0.0496","","","0.1082","0.1246","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545461","9.4705","0.001","10.7642","0.0013","23.159","0.003","90","","94.784","0.004","90","","2352.7","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 Cl N O2 -","- C29.5 H24 Cl N O2 -","- C118 H96 Cl4 N4 O8 -","4","1","","Luong, Tom; Chen, Shujie; Qu, Ke; McInturff, Emma L.; Krische, Michael J.","Ruthenium(0)-Catalyzed C-C Coupling of Alkynes and 3-Hydroxy-2-oxindoles: Direct C-H Vinylation of Alcohols.","Organic letters","2017","19","4","966","968","10.1021/acs.orglett.7b00174","","","0.71073","MoKα","","0.1227","0.0569","","","0.0992","0.1255","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545462","8.907","0.005","17.185","0.011","11.076","0.007","90","","91.287","0.01","90","","1694.9","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br N O4 S -","- C18 H12 Br N O4 S -","- C72 H48 Br4 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0975","0.0627","","","0.1614","0.1796","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545463","7.9735","0.0013","13.888","0.002","15.686","0.003","90","","96.433","0.002","90","","1726.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O4 S -","- C19 H12 F3 N O4 S -","- C76 H48 F12 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0415","0.0335","","","0.0865","0.0923","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545464","7.9347","0.0016","13.383","0.003","15.493","0.003","90","","90.928","0.003","90","","1645","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N2 O6 S -","- C18 H12 N2 O6 S -","- C72 H48 N8 O24 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0673","0.0457","","","0.1114","0.1242","","","","","","1.05","","","","has coordinates","193383","2020-10-21","18:00:00",""
"1545465","10.786","0.002","10.726","0.002","14.291","0.003","90","","98.556","0.003","90","","1634.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O4 S -","- C19 H15 N O4 S -","- C76 H60 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0453","0.0371","","","0.094","0.0996","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545466","8.2666","0.0016","17.036","0.003","12.631","0.002","90","","96.421","0.004","90","","1767.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C80 H68 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0667","0.0447","","","0.1113","0.1246","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545467","10.7121","0.0011","9.923","0.0011","19.323","0.002","90","","97.966","0.003","90","","2034.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H54 Br N2 O4 P S -","- C40 H54 Br N2 O4 P S -","- C80 H108 Br2 N4 O8 P2 S2 -","2","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.0604","0.05","","","0.1301","0.1375","","","","","","1.034","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545468","9.6162","0.0005","20.0202","0.0009","12.4958","0.0006","90","","96.703","0.003","90","","2389.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F3 O4 S2 -","- C25 H19 F3 O4 S2 -","- C100 H76 F12 O16 S8 -","4","1","","Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo","Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.","Organic letters","2017","19","4","838","841","10.1021/acs.orglett.6b03840","","","0.71073","MoKα","","0.1786","0.1264","","","0.2564","0.2825","","","","","","1.768","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545469","6.5022","0.0003","7.7532","0.0003","11.0346","0.0006","77.138","0.003","82.169","0.003","83.193","0.002","535.03","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Au Cl N3 -","- C9 H9 Au Cl N3 -","- C18 H18 Au2 Cl2 N6 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.067","0.0356","","","0.0488","0.0541","","","","","","0.952","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545470","11.6678","0.0012","7.5775","0.0008","12.8031","0.0013","90","","115.593","0.004","90","","1020.9","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Au Cl N3 -","- C9 H9 Au Cl N3 -","- C36 H36 Au4 Cl4 N12 -","4","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.028","0.0175","","","0.0396","0.0442","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545471","11.1264","0.0005","23.9534","0.0011","15.5703","0.0007","90","","92.3778","0.0019","90","","4146.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H51 Br O18 -","- C34.5 H51 Br O18 -","- C138 H204 Br4 O72 -","4","2","","Hayashi, Taiki; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Carthamin. 2. Stereoselective Approach to C-Glycosyl Quinochalcone via Desymmetrization.","Organic letters","2017","19","4","866","869","10.1021/acs.orglett.6b03899","","","1.54186","CuKα","","0.1388","0.0948","","","0.2461","0.2955","","","","","","0.982","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545472","25.678","0.003","11.0955","0.0007","19.564","0.002","90","","138.94","0.02","90","","3661.3","1.6","102.7","","102.7","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H33 N3 O8 -","- C32 H33 N3 O8 -","- C128 H132 N12 O32 -","4","1","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0735","0.0702","","","0.1987","0.2035","","","","","","1.084","","","","has coordinates","193391","2020-10-21","18:00:00",""
"1545473","15.7527","0.0006","8.9786","0.0003","24.0362","0.0009","90","","108.197","0.004","90","","3229.6","0.2","104.7","","104.7","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.2 H42.09 N3 O9.5 -","- C34.2 H42.1 N3 O9.5 -","- C136.8 H168.4 N12 O38 -","4","2","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0483","0.0443","","","0.1164","0.1207","","","","","","1.023","","","","has coordinates,has disorder","193391","2020-10-21","18:00:00",""
"1545474","7.478","0.0004","10.2072","0.0005","11.8614","0.0005","107.051","0.004","91.711","0.004","96.066","0.004","858.97","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C40 H32 O14 -","2","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.0402","0.0372","","","0.0973","0.1007","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545475","6.8562","0.0005","10.2038","0.0006","24.6697","0.0016","90","","92.102","0.006","90","","1724.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.1188","0.0658","","","0.1448","0.1727","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545524","11.6918","0.0004","9.6408","0.0003","14.6263","0.0005","90","","104.815","0.001","90","","1593.84","0.09","307.1","","307.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Nayak, Maloy; Kang, Young Kee; Kim, Ikyon","Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures.","Organic letters","2017","19","6","1474","1477","10.1021/acs.orglett.7b00472","","","0.71073","MoKα","","0.0575","0.0426","","","0.1082","0.1184","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545525","8.9477","0.0006","9.8191","0.0006","10.1325","0.0006","100.835","0.003","102.579","0.003","115.911","0.003","739.75","0.09","305.3","","305.3","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O -","- C20 H15 N O -","- C40 H30 N2 O2 -","2","1","","Nayak, Maloy; Kang, Young Kee; Kim, Ikyon","Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures.","Organic letters","2017","19","6","1474","1477","10.1021/acs.orglett.7b00472","","","0.71073","MoKα","","0.0979","0.0468","","","0.0974","0.1152","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545526","12.6825","0.0002","14.4458","0.0002","13.1365","0.0002","90","","90","","90","","2406.72","0.06","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min","Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes.","Organic letters","2017","19","6","1450","1453","10.1021/acs.orglett.7b00410","","","0.71073","MoKα","","0.0549","0.0447","","","0.1201","0.1263","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545561","9.7456","0.0005","14.1679","0.0005","6.2215","0.0002","90","","106.761","0.002","90","","822.54","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0532","0.0378","","","0.0946","0.1057","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545562","7.1293","0.0003","8.5344","0.0003","12.1967","0.0005","92.8941","0.0017","92.3808","0.0019","99.1117","0.0017","730.88","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C32 H24 Cl2 N2 O8 -","2","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0689","0.0489","","","0.117","0.1326","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545563","8.799","0.0018","12.568","0.003","22.97","0.005","90","","97.36","0.03","90","","2519.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C108 H120 N8 O16 S4 -","4","1","","Zhen, Le; Wang, Jiankun; Xu, Qing-Long; Sun, Hongbin; Wen, Xiaoan; Wang, Guangji","Direct Intermolecular C-H Functionalization Triggered by 1,5-Hydride Shift: Access to N-Arylprolinamides via Ugi-Type Reaction.","Organic letters","2017","19","7","1566","1569","10.1021/acs.orglett.7b00378","","","0.71073","MoKα","","0.1643","0.073","","","0.1593","0.2059","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545564","10.3342","0.0004","12.1948","0.0005","23.5406","0.001","90","","90","","90","","2966.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N3 O -","- C38 H31 N3 O -","- C152 H124 N12 O4 -","4","1","","Zhu, Zi-Qi; Shen, Yang; Liu, Jin-Xi; Tao, Ji-Yu; Shi, Feng","Enantioselective Direct α-Arylation of Pyrazol-5-ones with 2-Indolylmethanols via Organo-Metal Cooperative Catalysis.","Organic letters","2017","19","7","1542","1545","10.1021/acs.orglett.7b00351","","","1.54178","CuKα","","0.0348","0.0338","","","0.0945","0.0961","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545572","9.8524","0.0004","11.3434","0.0004","14.8547","0.0005","90","","97.106","0.002","90","","1647.41","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu","Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids.","Organic letters","2017","19","7","1764","1767","10.1021/acs.orglett.7b00442","","","1.54178","CuKα","","0.0472","0.0395","","","0.1241","0.1325","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545573","10.4886","0.0007","20.6885","0.0018","10.5508","0.0007","90","","96.517","0.009","90","","2274.7","0.3","107.1","","107.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C96 H108 N12 O24 -","4","1","","Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo","Total Synthesis of (±)-Grandilodine B.","Organic letters","2017","19","7","1828","1830","10.1021/acs.orglett.7b00591","","","0.7107","MoKα","","0.074","0.0524","","","0.1076","0.119","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545574","7.0297","0.0016","10.925","0.003","15.255","0.003","90","","90","","90","","1171.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0393","0.0334","","","0.0757","0.0791","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545575","6.399","0.003","11.401","0.006","8.532","0.004","90","","91.285","0.008","90","","622.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0516","0.0493","","","0.0967","0.0982","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545654","8.86","0.0018","10.405","0.002","18.908","0.004","100.08","0.03","94.73","0.03","99.66","0.03","1680.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C66 H84 O24 -","6","3","","Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian","A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.","Organic letters","2017","19","7","1748","1751","10.1021/acs.orglett.7b00507","","","0.71073","MoKα","","0.1761","0.0961","","","0.2139","0.2514","","","","","","1.019","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545656","10.0039","0.0012","11.6625","0.0013","25.912","0.003","90","","94.479","0.003","90","","3013.9","0.6","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H29 Br N2 O2 -","- C37 H29 Br N2 O2 -","- C148 H116 Br4 N8 O8 -","4","2","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0591","0.0424","","","0.1041","0.1103","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545657","12.4503","0.0007","9.3115","0.0004","15.1532","0.0008","90","","103.909","0.002","90","","1705.22","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H39 Br N2 O3 -","- C41 H39 Br N2 O3 -","- C82 H78 Br2 N4 O6 -","2","1","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0653","0.0455","","","0.0891","0.0956","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545659","10.429","0.006","8.033","0.004","13.269","0.007","90","","95.243","0.01","90","","1107","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O -","- C28 H32 O -","- C56 H64 O2 -","2","1","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.072","0.043","","","0.0873","0.1011","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545661","13.7608","0.0004","7.3158","0.0002","17.9639","0.0005","90","","104.13","0.001","90","","1753.73","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0556","0.0442","","","0.1249","0.1358","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545662","7.1873","0.0004","16.9756","0.001","26.5949","0.0016","90","","90","","90","","3244.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C128 H136 O40 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.1041","0.0702","","","0.1814","0.1994","","","","","","0.994","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545663","7.7914","0.0009","8.255","0.0009","16.9969","0.0019","92.455","0.003","97.868","0.004","111.507","0.003","1002.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C36 H48 O12 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0537","0.043","","","0.1225","0.1278","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545664","8.875","0.007","10.93","0.008","11.258","0.009","112.189","0.009","98.039","0.009","93.399","0.009","993.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 B N2 O -","- C24 H23 B N2 O -","- C48 H46 B2 N4 O2 -","2","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","","0.71073","MoKα","","0.0922","0.0608","","","0.1625","0.1814","","","","","","1.071","","","","has coordinates","196174","2020-10-21","18:00:00",""
"1545677","9.8614","0.0019","11.994","0.002","13.532","0.003","90","","90","","90","","1600.5","0.5","98","","98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0378","0.0365","","","0.0847","0.0855","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545686","14.853","0.003","7.5783","0.0013","19.985","0.003","90","","101.843","0.003","90","","2201.6","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N O -","- C23 H24 F5 N O -","- C92 H96 F20 N4 O4 -","4","1","","Zhao, Qun; Tognetti, Vincent; Joubert, Laurent; Besset, Tatiana; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Poisson, Thomas","Palladium-Catalyzed Synthesis of 3-Trifluoromethyl-Substituted 1,3-Butadienes by Means of Directed C-H Bond Functionalization.","Organic letters","2017","19","8","2106","2109","10.1021/acs.orglett.7b00704","","x-ray","0.71073","MoKα","","0.1126","0.0838","","","0.1938","0.2092","","","","","","1.189","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545687","9.4823","0.0006","9.4823","0.0006","24.418","0.002","90","","90","","90","","2195.5","0.3","100","2","100","","","","","","","","","6","P 41","P 4w","76","JLH-3-168","JLH-3-168","","- C23 H20 Br2 N2 Ni O2 -","- C23 H20 Br2 N2 Ni O2 -","- C92 H80 Br8 N8 Ni4 O8 -","4","1","","Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E.","Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides.","Organic letters","2017","19","8","2150","2153","10.1021/acs.orglett.7b00793","","","0.71073","MoKα","","0.058","0.047","","","0.1114","0.1168","","","","","","1.056","","","","has coordinates","196176","2020-10-21","18:00:00",""
"1545694","11.5218","0.0004","9.9089","0.0003","16.3736","0.0005","90","","90","","90","","1869.35","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RD-1-181","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh","Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade.","Organic letters","2017","19","8","2154","2157","10.1021/acs.orglett.7b00794","","","0.71073","MoKα","","0.0583","0.0416","","","0.0791","0.0858","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545697","9.9804","0.0017","10.4605","0.0018","12.323","0.002","79.674","0.002","72.628","0.001","78.533","0.001","1193.4","0.3","571","2","571.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F6 N4 S2 -","- C22 H18 F6 N4 S2 -","- C44 H36 F12 N8 S4 -","2","1","","Wei, Fang; Zhou, Tong; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu","Bench-Stable 5-Stannyl Triazoles by a Copper(I)-Catalyzed Interrupted Click Reaction: Bridge to Trifluoromethyltriazoles and Trifluoromethylthiotriazoles.","Organic letters","2017","19","8","2098","2101","10.1021/acs.orglett.7b00701","","","0.71073","MoKα","","0.0708","0.0544","","","0.1328","0.1522","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545714","5.2322","0.0003","10.0668","0.0005","10.7671","0.0005","90","","102.13","0.001","90","","554.46","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C24 H24 N4 O2 S2 -","2","1","","Tan, Wei; Wei, Jianpeng; Jiang, Xuefeng","Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction.","Organic letters","2017","19","8","2166","2169","10.1021/acs.orglett.7b00819","","","0.71073","MoKα","","0.0233","0.023","","","0.0611","0.0615","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545717","6.2323","0.0002","9.6926","0.0003","29.7861","0.0008","90","","90","","90","","1799.29","0.09","296","1","296","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl F3 N O2 S -","- C17 H15 Cl F3 N O2 S -","- C68 H60 Cl4 F12 N4 O8 S4 -","4","1","","Han, Hong Sik; Lee, Young Jin; Jung, Young-Sik; Han, Soo Bong","Stereoselective Photoredox-Catalyzed Chlorotrifluoromethylation of Alkynes: Synthesis of Tetrasubstituted Alkenes.","Organic letters","2017","19","8","1962","1965","10.1021/acs.orglett.7b00470","","","0.71073","MoKα","","0.0614","0.0533","","","0.1339","0.1404","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545718","12.199","0.0011","16.5906","0.0015","14.486","0.0014","90","","90.586","0.005","90","","2931.6","0.5","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 -","- C14.5 H17 N1.5 O4 -","- C116 H136 N12 O32 -","8","2","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.204","0.136","","","0.3219","0.395","","","","","","1.353","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545719","8.759","0.004","15.074","0.007","21.337","0.01","90","","90","","90","","2817","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.0962","0.0508","","","0.1392","0.1809","","","","","","0.984","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545720","14.117","0.0009","8.1361","0.0004","22.5808","0.0014","90","","94.591","0.006","90","","2585.2","0.3","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C31 H24 O8 -","- C30 H20 O7 -","- C120 H80 O28 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","0.71073","MoKα","","0.1026","0.0639","","","0.1693","0.1918","","","","","","1.084","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545721","8.3894","0.0004","14.6187","0.0008","10.2645","0.0004","90","","97.613","0.004","90","","1247.76","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H26 O10 -","- C31 H26 O10 -","- C62 H52 O20 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0442","0.0371","","","0.0917","0.0976","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545722","7.3385","0.0002","11.972","0.0003","13.1171","0.0003","91.166","0.001","101.43","0.001","96.569","0.001","1121.06","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O7 -","- C30 H20 O7 -","- C60 H40 O14 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54178","CuKα","","0.0584","0.053","","","0.1567","0.1633","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545739","6.8548","0.0005","7.4136","0.0009","30.569","0.003","90","","90","","90","","1553.5","0.3","289.63","0.1","289.63","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.7107","MoKα","","0.0784","0.0542","","","0.1062","0.1231","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545743","9.4624","0.0007","9.9524","0.0007","16.0483","0.0011","90","","102.418","0.007","90","","1475.97","0.19","173.6","0.3","173.6","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Li, Bobin; Yang, Zhenhui; Cui, Xiuling","Cobalt-Catalyzed Selective Synthesis of Isoquinolines Using Picolinamide as a Traceless Directing Group.","Organic letters","2017","19","8","2102","2105","10.1021/acs.orglett.7b00702","","","0.71073","MoKα","","0.0642","0.0479","","","0.108","0.1202","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545744","16.2146","0.001","22.561","0.0014","9.2044","0.0006","90","","90","","90","","3367.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H26 Cl5 D N3 O3 -","- C33 H26 Cl5 N3 O3 -","- C132 H104 Cl20 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1666","0.0981","","","0.2699","0.3119","","","","","","1.043","","","","has coordinates,has disorder","196175","2020-10-21","18:00:00",""
"1545745","15.6695","0.0007","5.5971","0.0003","39.2584","0.0019","90","","90","","90","","3443.1","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.1255","0.068","","","0.1815","0.2245","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545746","10.752","0.002","12.403","0.002","14.821","0.002","103.152","0.009","108.554","0.009","99.041","0.009","1767.3","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Br N2 O5 S -","- C19 H13 Br N2 O5 S -","- C76 H52 Br4 N8 O20 S4 -","4","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0882","0.048","","","0.102","0.1236","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545747","3.927","0.0001","16.2999","0.0006","19.0048","0.0006","90","","90","","90","","1216.49","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0403","0.0289","","","0.0629","0.0822","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545749","11.732","0.004","15.204","0.005","15.864","0.005","90","","90","","90","","2829.7","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O9 -","- C29 H39 N O9 -","- C116 H156 N4 O36 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0932","0.0832","","","0.1737","0.1787","","","","","","1.213","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545757","17.7623","0.0008","7.2919","0.0004","23.6434","0.0011","90","","102.092","0.0014","90","","2994.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","12-(dibromomethylene)pleiaden-7-one","","- C19 H10 Br2 O -","- C19 H10 Br2 O -","- C152 H80 Br16 O8 -","8","1","","Gu, Xiao; Li, Huiyan; Shan, Bowen; Liu, Zhifeng; Miao, Qian","Synthesis, Structure, and Properties of Tetrabenzo[7]circulene.","Organic letters","2017","19","9","2246","2249","10.1021/acs.orglett.7b00714","","","0.71073","MoKα","","0.0289","0.0258","","","0.0639","0.0652","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545758","13.7789","0.0019","14.858","0.002","22.728","0.003","90","","98.14","0.002","90","","4606.2","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20.5 Cl2.5 N O2 -","- C25 H20.5 Cl2.5 N O2 -","- C200 H164 Cl20 N8 O16 -","8","2","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.0938","0.0679","","","0.1974","0.2268","","","","","","0.981","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545759","8.078","0.014","8.37","0.015","12.38","0.019","100.58","0.05","101.15","0.05","94.63","0.05","801","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.1101","0.0592","","","0.1497","0.1945","","","","","","0.826","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545778","7.4743","0.0006","17.3909","0.0014","10.0665","0.0006","90","","107.933","0.003","90","","1244.92","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","1","","Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones.","Organic letters","2017","19","9","2430","2433","10.1021/acs.orglett.7b00996","","","0.71073","MoKα","","0.0608","0.0339","","","0.0798","0.0891","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545779","10.126","0.0003","12.9083","0.0003","13.2893","0.0004","77.953","0.001","80.076","0.001","82.458","0.001","1665.16","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 O2 Se2 -","- C19 H14 O2 Se2 -","- C76 H56 O8 Se8 -","4","2","","Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones.","Organic letters","2017","19","9","2430","2433","10.1021/acs.orglett.7b00996","","","0.71073","MoKα","","0.0425","0.027","","","0.055","0.0592","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545780","8.729","0.004","9.996","0.004","25.71","0.011","90","","98.72","0.007","90","","2217.4","1.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Br N2 O3 S -","- C25 H21 Br N2 O3 S -","- C100 H84 Br4 N8 O12 S4 -","4","1","","Yi, Liang; Zhang, Yuyang; Zhang, Zhao-Fei; Sun, Dequn; Ye, Song","Synthesis of Dihydropyridinone-Fused Indoles and α-Carbolines via N-Heterocyclic Carbene-Catalyzed [3 + 3] Annulation of Indolin-2-imines and Bromoenals.","Organic letters","2017","19","9","2286","2289","10.1021/acs.orglett.7b00820","","","0.71073","MoKα","","0.1414","0.128","","","0.192","0.1975","","","","","","1.327","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545781","14.811","0.006","5.342","0.002","19.823","0.007","90","","99.03","0.02","90","","1549","1","123","","123","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.1313","0.0866","","","0.2023","0.2479","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545782","10.006","0.001","6.2513","0.0006","10.8417","0.0012","90","","93.336","0.003","90","","677","0.12","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O3 -","- C12 H18 Br N O3 -","- C24 H36 Br2 N2 O6 -","2","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.0977","0.056","","","0.1375","0.1814","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545799","11.2899","0.0006","10.188","0.0005","8.5203","0.0005","90","","93.637","0.003","90","","978.04","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Hu, Feng; Nareddy, Pradeep; Lalancette, Roger; Jordan, Frank; Szostak, Michal","σ N-C Bond Difunctionalization in Bridged Twisted Amides: Sew-and-Cut Activation Approach to Functionalized Isoquinolines.","Organic letters","2017","19","9","2386","2389","10.1021/acs.orglett.7b00913","","","1.54178","CuKα","","0.0436","0.0366","","","0.0873","0.0908","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545875","14.0418","0.0004","6.1192","0.0002","17.399","0.0005","90","","101.306","0.002","90","","1465.99","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 S4 -","- C14 H14 S4 -","- C56 H56 S16 -","4","1","","Cerda, Matthew M.; Hammers, Matthew D.; Earp, Mary S.; Zakharov, Lev N.; Pluth, Michael D.","Applications of Synthetic Organic Tetrasulfides as H2S Donors.","Organic letters","2017","19","9","2314","2317","10.1021/acs.orglett.7b00858","","","1.54178","CuKα","","0.0412","0.0356","","","0.0928","0.0969","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545879","10.3695","0.001","11.2448","0.0011","19.3109","0.0019","90","","94.823","0.002","90","","2243.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O6 S -","- C24 H23 N O6 S -","- C96 H92 N4 O24 S4 -","4","1","","Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min","PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives.","Organic letters","2017","19","9","2382","2385","10.1021/acs.orglett.7b00910","","","0.71073","MoKα","","0.0853","0.056","","","0.1229","0.1362","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545880","15.5866","0.0016","9.8958","0.001","14.265","0.0014","90","","98.14","0.002","90","","2178.1","0.4","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C88 H108 N4 O24 S4 -","4","1","","Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min","PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives.","Organic letters","2017","19","9","2382","2385","10.1021/acs.orglett.7b00910","","","0.71073","MoKα","","0.0754","0.0474","","","0.1317","0.1522","","","","","","0.916","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545884","12.542","0.004","5.445","0.0017","15.507","0.004","90","","94.578","0.006","90","","1055.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0511","0.0442","","","0.1088","0.1131","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545888","8.6354","0.0004","9.6432","0.0004","14.338","0.0007","100.662","0.003","96.56","0.002","112.543","0.002","1060.91","0.09","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O2 S2 -","- C25 H25 N O2 S2 -","- C50 H50 N2 O4 S4 -","2","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0426","0.0346","","","0.0904","0.095","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545889","8.3336","0.0017","20.386","0.004","12.286","0.003","90","","100.225","0.012","90","","2054.1","0.8","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 N O3 S -","- C21 H19 F6 N O3 S -","- C84 H76 F24 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0809","0.0548","","","0.1307","0.1435","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545890","6.0294","0.0002","32.1226","0.0012","8.9796","0.0004","90","","100.835","0.002","90","","1708.16","0.11","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0598","0.047","","","0.1115","0.1173","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545891","12.193","0.0005","15.497","0.0007","28.3046","0.0013","90","","93.718","0.003","90","","5337","0.4","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 O2 S -","- C33 H30 N2 O2 S -","- C264 H240 N16 O16 S8 -","8","2","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","1.54184","CuKα","","0.0689","0.0618","","","0.1605","0.1649","","","","","","1.122","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545892","8.6014","0.001","15.9764","0.0017","18.922","0.002","65.929","0.006","81.466","0.006","88.644","0.007","2345.9","0.5","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","2","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.1814","0.0686","","","0.1423","0.1867","","","","","","0.922","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545898","9.3782","0.0012","11.6315","0.0015","17.149","0.002","90","","90","","90","","1870.7","0.4","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","0.71073","MoKα","","0.0295","0.0285","","","0.0727","0.0734","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545903","28.3676","0.0005","12.0527","0.0002","11.4928","0.0002","90","","91.5907","0.001","90","","3927.94","0.12","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N2 O4 -","- C20 H19 Br N2 O4 -","- C160 H152 Br8 N16 O32 -","8","2","","Suzuki, Itaru; Tsunoi, Shinji; Shibata, Ikuya","Catalytic Annulation of Diethyl Methylenecyclopropane-1,1-dicarboxylate with 1,1-Dicyanoalkenes.","Organic letters","2017","19","10","2690","2693","10.1021/acs.orglett.7b01023","","","1.54187","CuKα","","","0.0613","","","","0.1498","","","","","","1.007","","","","has coordinates","197479","2020-10-21","18:00:00",""
"1545906","13.3441","0.0006","6.3849","0.0002","16.136","0.0007","90","","95.366","0.002","90","","1368.77","0.1","100","2","99.98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Br N2 O5 S2 -","- C28 H31 Br N2 O5 S2 -","- C56 H62 Br2 N4 O10 S4 -","2","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0302","0.0249","","","0.0543","0.0554","","","","","","0.983","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545907","5.4302","0.0004","15.9643","0.0012","19.0144","0.0014","90","","90","","90","","1648.3","0.2","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O3 S -","- C14 H28 N2 O3 S -","- C56 H112 N8 O12 S4 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0284","0.0268","","","0.0723","0.0747","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545927","5.9879","0.0008","12.983","0.0017","18.904","0.003","90","","90.542","0.002","90","","1469.5","0.4","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Chen, Shuang; Li, Deng-Yuan; Jiang, Liang-Liang; Liu, Kai; Liu, Pei-Nian","Copper-Catalyzed Cascade Transformation of Homopropargyl Azides into Trifluoromethylated Nitriles via C-C Cleavage.","Organic letters","2017","19","8","2014","2017","10.1021/acs.orglett.7b00571","","","0.71073","MoKα","","0.0466","0.0363","","","0.089","0.0958","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545928","4.7337","0.0002","6.2908","0.0002","33.7597","0.0012","90","","90","","90","","1005.32","0.06","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N O -","- C10 H14 Cl N O -","- C40 H56 Cl4 N4 O4 -","4","1","","Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An","Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols.","Organic letters","2017","19","8","2162","2165","10.1021/acs.orglett.7b00797","","","1.54184","CuKα","","0.0491","0.0476","","","0.1128","0.1134","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545929","9.1478","0.0005","11.1509","0.0006","12.6918","0.0007","90","","90","","90","","1294.64","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.71073","MoKα","","0.0695","0.0479","","","0.0837","0.0968","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545930","13.7906","0.0019","11.0012","0.0015","15.176","0.002","90","","106.407","0.002","90","","2208.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 B N2 O -","- C29 H25 B N2 O -","- C116 H100 B4 N8 O4 -","4","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","","0.71073","MoKα","","0.1214","0.0616","","","0.1273","0.1485","","","","","","0.799","","","","has coordinates","196064","2020-10-21","18:00:00",""
"1545931","16.2687","0.0009","22.872","0.0012","9.2415","0.0004","90","","90","","90","","3438.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C33 H27 Br2 Cl3 D N3 O3 -","- C33 H27 Br2 Cl3 N3 O3 -","- C132 H108 Br8 Cl12 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1337","0.0837","","","0.1888","0.2138","","","","","","1.074","","","","has coordinates","196065","2020-10-21","18:00:00",""
"1545932","8.5702","0.0002","19.8368","0.0008","13.8839","0.0005","90","","93.903","0.003","90","","2354.86","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 O8 -","- C32 H24 O8 -","- C128 H96 O32 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0654","0.0486","","","0.1334","0.1478","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545933","13.7367","0.0001","8.5632","0.0001","19.5622","0.0002","90","","97.697","0.001","90","","2280.37","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O7 -","- C31 H22 O7 -","- C124 H88 O28 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0456","0.0437","","","0.1186","0.1205","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545934","7.5261","0.0003","12.0151","0.0004","23.1016","0.0008","89.001","0.003","85.625","0.003","82.143","0.003","2063.31","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 B F2 N2 O4 -","- C21 H25 B F2 N2 O4 -","- C84 H100 B4 F8 N8 O16 -","4","2","","Patalag, Lukas J.; Ulrichs, Jan A.; Jones, Peter G.; Werz, Daniel B.","Decorated BODIPY Fluorophores and Thiol-Reactive Fluorescence Probes by an Aldol Addition.","Organic letters","2017","19","8","2090","2093","10.1021/acs.orglett.7b00693","","","1.54184","CuKα","","0.046","0.0419","","","0.1087","0.1115","","","","","","1.047","","","","has coordinates,has disorder","196068","2020-10-21","18:00:00",""
"1545935","26.0091","0.0005","6.2157","0.0001","15.4618","0.0002","90","","123.549","0.001","90","","2083.22","0.06","175","2","175","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54178","CuKα","","0.0297","0.0289","","","0.0811","0.0819","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545936","10.4021","0.001","11.1735","0.0009","21.729","0.003","90","","98","0.011","90","","2500.9","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C88 H168 N24 -","8","2","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.1303","0.0949","","","0.2668","0.3074","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545937","10.4082","0.0005","7.7785","0.0003","19.6994","0.0009","90","","90","","90","","1594.87","0.12","150","0.1","150","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.0335","0.0291","","","0.0716","0.0743","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545938","27.621","0.006","7.7207","0.0016","12.441","0.002","90","","91.434","0.007","90","","2652.3","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 O2 Si -","- C26 H48 O2 Si -","- C104 H192 O8 Si4 -","4","1","","Werner, Bettina; Kalesse, Markus","Pinacol Coupling Strategy for the Construction of the Bicyclo[6.4.1]tridecane Framework of Schiglautone A.","Organic letters","2017","19","7","1524","1526","10.1021/acs.orglett.7b00288","","","0.71073","MoKα","","0.1032","0.0555","","","0.1299","0.1483","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545939","8.69815","0.00008","8.99657","0.00008","11.2368","0.00011","90","","99.4584","0.0009","90","","867.365","0.014","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian","Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton.","Organic letters","2017","19","7","1804","1807","10.1021/acs.orglett.7b00570","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0886","0.0915","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545940","18.154","0.009","19.79","0.01","13.725","0.008","90","","112.371","0.007","90","","4560","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C208 H208 N16 O24 S8 -","8","1","","Bai, Lu; Wang, Yan; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Diastereoselective Synthesis of Dibenzo[b,d]azepines by Pd(II)-Catalyzed [5 + 2] Annulation of o-Arylanilines with Dienes.","Organic letters","2017","19","7","1734","1737","10.1021/acs.orglett.7b00503","","","0.71073","MoKα","","0.1219","0.0554","","","0.1262","0.1697","","","","","","0.964","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545941","39.96","0.03","11.468","0.009","28.37","0.02","90","","134.78","","90","","9228","12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cl O -","- C12 H13 Cl O -","- C384 H416 Cl32 O32 -","32","4","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.1729","0.0589","","","0.1239","0.162","","","","","","0.851","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545942","8.082","0.0016","23.635","0.005","5.257","0.0011","90","","100.75","0.03","90","","986.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian","A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.","Organic letters","2017","19","7","1748","1751","10.1021/acs.orglett.7b00507","","","0.71073","MoKα","","0.0967","0.0591","","","0.1562","0.1837","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545943","9.793","0.003","12.819","0.004","11.666","0.003","90","","109.278","0.006","90","","1382.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C68 H48 Cl4 N4 O4 -","4","1","","Wang, Shun; Guo, Yong-Qiang; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","K2CO3-Mediated Cyclization and Rearrangement of γ,δ-Alkynyl Oximes To Form Pyridols.","Organic letters","2017","19","7","1574","1577","10.1021/acs.orglett.7b00389","","","0.71073","MoKα","","0.1212","0.0553","","","0.1092","0.1484","","","","","","0.995","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545944","10.013","0.003","5.4697","0.0017","11.876","0.004","90","","96.71","0.03","90","","646","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 S -","- C14 H14 N4 S -","- C28 H28 N8 S2 -","2","1","","Haidasz, Evan A.; Pratt, Derek A.","Diazaphenoxazines and Diazaphenothiazines: Synthesis of the ""Correct"" Isomers Reveals They Are Highly Reactive Radical-Trapping Antioxidants.","Organic letters","2017","19","7","1854","1857","10.1021/acs.orglett.7b00615","","","0.71073","MoKα","","0.0717","0.0432","","","0.0968","0.1086","","","","","","1.044","","","","has coordinates","196078","2020-10-21","18:00:00",""
"1545945","16.5759","0.0006","13.1086","0.0005","12.2124","0.0005","90","","108.101","0.002","90","","2522.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 N4 O4 -","- C60 H56 N4 O4 -","- C120 H112 N8 O8 -","2","0.5","","Tominaga, Masahide; Takahashi, Eri; Ukai, Hiroyuki; Ohara, Kazuaki; Itoh, Tsutomu; Yamaguchi, Kentaro","Solvent-Dependent Self-Assembly and Crystal Structures of a Salen-Based Macrocycle.","Organic letters","2017","19","7","1508","1511","10.1021/acs.orglett.7b00264","","","1.54178","CuKα","","0.0496","0.0425","","","0.1126","0.12","","","","","","0.847","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545946","6.4551","0.0002","13.9906","0.0003","19.732","0.0006","90","","90","","90","","1782.01","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N2 O4 -","- C19 H16 Cl2 N2 O4 -","- C76 H64 Cl8 N8 O16 -","4","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","1.54184","CuKα","","0.0495","0.0472","","0.1279","0.1257","0.1279","","","","","","0.9348","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545947","8.2596","0.0002","7.268","0.0002","13.7048","0.0005","90","","102.076","0.0015","90","","804.5","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","0.71073","MoKα","","0.041","0.0361","","0.0915","0.0883","0.0915","","","","","","0.9932","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545948","14.5321","0.0014","4.2646","0.0005","17.6646","0.0019","90","","96.996","0.005","90","","1086.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0681","0.0543","","","0.1589","0.1879","","","","","","1.163","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545949","36.172","0.006","4.3144","0.0006","21.587","0.003","90","","125.607","0.003","90","","2739","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C120 H160 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0559","0.0383","","","0.0881","0.097","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545950","12.6329","0.0003","15.5564","0.0004","16.0916","0.0004","96.072","0.001","105.849","0.001","94.847","0.001","3003.75","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0753","0.0454","","","0.1289","0.1655","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545951","9.5486","0.0005","14.0756","0.0009","5.967","0.0003","90","","105.349","0.002","90","","773.37","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O2 S -","- C7 H7 N O2 S -","- C28 H28 N4 O8 S4 -","4","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0586","0.0441","","","0.1198","0.1301","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545952","26.0702","0.0018","10.9823","0.0007","21.191","0.0012","90","","108.083","0.006","90","","5767.5","0.7","290.9","0.1","290.9","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N4 O4 Si -","- C26 H38 N4 O4 Si -","- C208 H304 N32 O32 Si8 -","8","1","","Wang, Taimin; Duan, Xiaoguang; Zhao, Hua; Zhai, Shengxian; Tao, Cheng; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Asymmetric Total Synthesis of (-)-Aspidophylline A.","Organic letters","2017","19","7","1650","1653","10.1021/acs.orglett.7b00448","","","0.7107","MoKα","","0.1316","0.0697","","","0.1601","0.2063","","","","","","1.018","","","","has coordinates,has disorder","196085","2020-10-21","18:00:00",""
"1545953","7.9238","0.0005","11.0281","0.0008","25.0507","0.0018","90","","90","","90","","2189","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu","Total Synthesis of Scholarisine K and Alstolactine A.","Organic letters","2017","19","7","1922","1925","10.1021/acs.orglett.7b00722","","","1.54178","CuKα","","0.1022","0.0924","","","0.2385","0.2474","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545954","5.3333","0.0004","19.6192","0.0016","23.4352","0.0018","90","","90","","90","","2452.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O3 S -","- C27 H24 F3 N O3 S -","- C108 H96 F12 N4 O12 S4 -","4","1","","Wang, Huamin; Zhou, Wei; Tao, Mengna; Hu, Anjing; Zhang, Junliang","Functionalized Tetrahydropyridines by Enantioselective Phosphine-Catalyzed Aza-[4 + 2] Cycloaddition of N-Sulfonyl-1-aza-1,3-dienes with Vinyl Ketones.","Organic letters","2017","19","7","1710","1713","10.1021/acs.orglett.7b00489","","","0.71073","MoKα","","0.0597","0.0378","","","0.0778","0.087","","","","","","1.014","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545955","5.521","0.003","17.785","0.008","9.852","0.005","90","","91.837","0.009","90","","966.9","0.8","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C44 H44 O12 -","2","1","","Zhou, Weiping; Ni, Chunjie; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng","Enantioselective Synthesis of 4H-Pyran via Amine-Catalyzed Formal (3 + 3) Annulation of δ-Acetoxy Allenoate.","Organic letters","2017","19","7","1890","1893","10.1021/acs.orglett.7b00658","","","0.71073","MoKα","","0.1601","0.0592","","","0.1217","0.1545","","","","","","0.927","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545956","18.8061","0.0009","5.9523","0.0002","13.3383","0.0006","90","","90.605","0.002","90","","1493","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 Se -","- C17 H13 N O3 Se -","- C68 H52 N4 O12 Se4 -","4","1","","Dana, Suman; Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Ru(II)-Catalyzed C-H Functionalization on Maleimides with Electrophiles: A Demonstration of Umpolung Strategy.","Organic letters","2017","19","7","1902","1905","10.1021/acs.orglett.7b00674","","","0.71073","MoKα","","0.055","0.0351","","","0.0658","0.0725","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545957","7.6027","0.0003","16.7807","0.0006","21.1178","0.0005","90","","90","","90","","2694.18","0.16","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C128 H96 Br4 N12 O12 -","4","1","","Liu, Jin-Yu; Zhao, Jing; Zhang, Jia-Lu; Xu, Peng-Fei","Quaternary Carbon Center Forming Formal [3 + 3] Cycloaddition Reaction via Bifunctional Catalysis: Asymmetric Synthesis of Spirocyclohexene Pyrazolones.","Organic letters","2017","19","7","1846","1849","10.1021/acs.orglett.7b00610","","","0.7107","MoKα","","0.0635","0.0457","","","0.0775","0.0857","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545958","7.6208","0.0003","21.2775","0.0007","11.1815","0.0004","90","","105.554","0.002","90","","1746.7","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F3 N2 O -","- C23 H13 F3 N2 O -","- C92 H52 F12 N8 O4 -","4","1","","Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu","Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids.","Organic letters","2017","19","7","1764","1767","10.1021/acs.orglett.7b00442","","","1.54178","CuKα","","0.0533","0.0471","","","0.1264","0.1325","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545959","9.8361","0.001","9.9871","0.001","12.5171","0.0014","98.404","0.009","92.358","0.009","94.506","0.008","1210.9","0.2","291.89","0.1","291.89","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C54 H68 O6 -","2","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Gan, Kang-Ji; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Fan, Chun-An","Tandem Spirocyclopropanation/Rearrangement Reaction of Vinyl p-Quinone Methides with Sulfonium Salts: Synthesis of Spirocyclopentenyl p-Dienones.","Organic letters","2017","19","7","1752","1755","10.1021/acs.orglett.7b00516","","","0.71073","MoKα","","0.1509","0.0714","","","0.1608","0.2233","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545960","27.36","0.006","6.8093","0.0014","25.381","0.005","90","","112.41","0.03","90","","4371.4","1.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H24 N12 O7 -","- C39 H24 N12 O7 -","- C156 H96 N48 O28 -","4","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.1325","0.1059","","","0.3007","0.3263","","","","","","1.142","","","","has coordinates,has disorder","196093","2020-10-21","18:00:00",""
"1545961","11.034","0.004","13.836","0.005","19.748","0.007","105.366","0.005","101.194","0.005","101.131","0.003","2754.9","1.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cl6 N6 O6 -","- C60 H48 Cl6 N6 O6 -","- C120 H96 Cl12 N12 O12 -","2","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.1233","0.0876","","","0.1873","0.2046","","","","","","1.138","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545962","5.1414","0.0005","15.2261","0.0018","18.358","0.002","90","","97.59","0.003","90","","1424.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Br S -","- C20 H11 Br S -","- C80 H44 Br4 S4 -","4","1","","Ozaki, Kyohei; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-Extension (APEX) of Heteroarenes with Dibenzosiloles and Dibenzogermoles by Palladium/o-Chloranil Catalysis.","Organic letters","2017","19","7","1930","1933","10.1021/acs.orglett.7b00684","","","0.71075","MoKα","","0.0271","0.0212","","","0.0544","0.0569","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545963","9.5441","0.0002","7.5459","0.0002","27.2946","0.0019","90","","96.595","0.007","90","","1952.72","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Base-Controlled Diastereoselective Synthesis of Either anti- or syn-β-Aminonitriles.","Organic letters","2017","19","7","1918","1921","10.1021/acs.orglett.7b00679","","x-ray","1.54187","CuKα","","0.1007","0.0862","","","0.2244","0.2442","","","","","","1.17","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545964","9.4676","0.0005","15.2732","0.0007","12.2821","0.0006","90","","96.493","0.002","90","","1764.61","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C64 H68 O20 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0549","0.0433","","","0.1153","0.1218","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545965","11.0916","0.0006","8.5446","0.0004","23.4141","0.0013","90","","95.772","0.006","90","","2207.8","0.2","107.3","","107.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","","Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo","Total Synthesis of (±)-Grandilodine B.","Organic letters","2017","19","7","1828","1830","10.1021/acs.orglett.7b00591","","","0.7107","MoKα","","0.069","0.0508","","","0.1097","0.1202","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545966","10.666","0.009","6.294","0.005","11.33","0.009","90","","109.47","0.011","90","","717.1","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0508","0.0432","","","0.1304","0.1399","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545967","9.0447","0.0008","10.6072","0.0009","11.4907","0.0009","70.444","0.003","89.544","0.004","67.304","0.003","949.01","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 N O2 S -","- C21 H20 F3 N O2 S -","- C42 H40 F6 N2 O4 S2 -","2","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.0627","0.0419","","","0.0982","0.1156","","","","","","0.721","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545968","7.1072","0.0005","23.128","0.002","10.8794","0.0011","90","","90","","90","","1788.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","cc185bc","","","- C18 H19 Br F3 N O2 S -","- C18 H19 Br F3 N O2 S -","- C72 H76 Br4 F12 N4 O8 S4 -","4","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","x-ray","0.71073","MoKα","","0.0541","0.0335","","","0.0583","0.0638","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545969","23.234","0.006","33.003","0.008","7.7417","0.0017","90","","95.771","0.007","90","","5906","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N O2 S -","- C21 H20 F3 N O2 S -","- C252 H240 F36 N12 O24 S12 -","12","3","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.1373","0.0648","","","0.1425","0.1761","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545970","7.4533","0.0008","8.8064","0.001","9.0773","0.0009","74.195","0.004","68.403","0.004","81.369","0.004","532.21","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 F3 N O2 S -","- C10 H8 F3 N O2 S -","- C20 H16 F6 N2 O4 S2 -","2","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.0857","0.0759","","","0.2004","0.2105","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545971","21.1037","0.0008","21.1037","0.0008","10.4985","0.0006","90","","90","","120","","4049.3","0.3","113.15","","113.15","","","","","","","","","4","P 61","P 61","169","","","","- C33 H35 N O -","- C33 H35 N O -","- C198 H210 N6 O6 -","6","1","","Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming","Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence.","Organic letters","2017","19","7","1520","1523","10.1021/acs.orglett.7b00284","","","0.71073","MoKα","","0.0367","0.0326","","","0.0788","0.0813","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545972","8.812","0.0002","11.495","0.0004","19.111","0.0005","90","","90","","90","","1935.83","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles.","Organic letters","2017","19","7","1546","1549","10.1021/acs.orglett.7b00354","","","0.71073","MoKα","","0.0844","0.043","","","0.0976","0.1153","","","","","","0.908","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545974","6.2846","0.0003","11.2864","0.0006","14.5243","0.0008","90","","90","","90","","1030.22","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.031","0.0299","","","0.0757","0.0767","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545975","6.2929","0.001","11.2901","0.0017","14.454","0.002","90","","90","","90","","1026.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.0267","0.0267","","","0.0701","0.0701","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545976","17.0396","0.0003","27.7804","0.0006","34.0065","0.0006","90","","90.253","0.002","90","","16097.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 I2 N32 O14 -","- C60 H64 I1.9995 N32 O14 -","- C480 H512 I15.996 N256 O112 -","8","2","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.1387","0.101","","","0.2914","0.3243","","","","","","1.015","","","","has coordinates","197482","2020-10-21","18:00:00",""
"1545991","15.96905","0.00013","20.99152","0.00016","10.22172","0.00008","90","","96.6779","0.0007","90","","3403.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N4 O10 S -","- C31 H48 N4 O10 S -","- C124 H192 N16 O40 S4 -","4","1","","Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing","Helical Folding of Meta-Connected Aromatic Oligoureas.","Organic letters","2017","19","10","2666","2669","10.1021/acs.orglett.7b01005","","x-ray","1.54184","CuKα","","0.0373","0.035","","","0.0854","0.0872","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545992","11.689","0.004","14.24","0.004","17.345","0.005","112.693","0.004","101.236","0.005","97.554","0.005","2543.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O17 -","- C46 H70 N6 O17 -","- C92 H140 N12 O34 -","2","1","","Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing","Helical Folding of Meta-Connected Aromatic Oligoureas.","Organic letters","2017","19","10","2666","2669","10.1021/acs.orglett.7b01005","","","0.71073","MoKα","","0.1101","0.0959","","","0.2343","0.2427","","","","","","1.205","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545994","9.1593","0.0007","11.0566","0.0008","12.405","0.0009","64.95","0.001","76.98","0.001","89.327","0.001","1103.85","0.14","90","2","90.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl N2 O7 S -","- C23 H17 Cl N2 O7 S -","- C46 H34 Cl2 N4 O14 S2 -","2","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0984","0.1034","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545995","13.7214","0.0014","9.2266","0.0009","34.566","0.004","90","","91.593","0.002","90","","4374.4","0.8","100","2","99.99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H17 N3 O7 S -","- C24 H17 N3 O7 S -","- C192 H136 N24 O56 S8 -","8","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0357","0.0326","","","0.088","0.09","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546001","7.8742","0.001","12.2573","0.0003","13.1272","0.0004","90","","107.166","0.01","90","","1210.55","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","1.54178","CuKα","","0.0518","0.0478","","","0.1246","0.129","","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546004","5.7733","0.0002","9.1531","0.0004","41.7797","0.0019","90","","91.716","0.004","90","","2206.8","0.16","123","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H33 N O6 -","- C84 H132 N4 O24 -","4","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0553","0.0487","","","0.131","0.1395","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546005","9.4639","0.0003","6.1799","0.0002","13.1692","0.0005","90","","90.131","0.004","90","","770.21","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0601","0.0582","","","0.1493","0.1522","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546006","6.02696","0.00012","8.5237","0.00017","15.8573","0.0003","90","","90","","90","","814.62","0.03","123","0.1","123","0.1","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C30 H54 N2 O8 -","2","0.5","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.54184","CuKα","","0.0308","0.0289","","","0.0757","0.0767","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1546020","5.0478","0.0001","14.4096","0.0003","16.6991","0.0004","90","","90","","90","","1214.64","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0411","0.0354","","","0.0909","0.0951","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546021","7.5525","0.0002","19.9782","0.0005","8.7575","0.0002","90","","101.25","0.001","90","","1295.99","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0399","0.0397","","","0.1249","0.1252","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546024","16.199","0.003","18.065","0.003","23.596","0.004","102.7","0.004","107.741","0.004","106.042","0.004","5961.7","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 F10 O4 P Pd S -","- C63 H74 F10 O4 P Pd S -","- C252 H296 F40 O16 P4 Pd4 S4 -","4","2","","Ingoglia, Bryan T.; Buchwald, Stephen L.","Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands.","Organic letters","2017","19","11","2853","2856","10.1021/acs.orglett.7b01082","","","0.71073","MoKα","","0.1272","0.0777","","","0.2037","0.2399","","","","","","1.044","","","","has coordinates,has disorder","197510","2020-10-21","18:00:00",""
"1546031","10.0738","0.0019","7.7949","0.0015","20.89","0.004","90","","99.429","0.004","90","","1618.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Long, Jinguo; Cao, Xin; Zhu, Longzhi; Qiu, Renhua; Au, Chak-Tong; Yin, Shuang-Feng; Iwasaki, Takanori; Kambe, Nobuaki","Intramolecular, Site-Selective, Iodine-Mediated, Amination of Unactivated (sp(3))C-H Bonds for the Synthesis of Indoline Derivatives.","Organic letters","2017","19","11","2793","2796","10.1021/acs.orglett.7b00846","","","0.71073","MoKα","","0.0994","0.0511","","","0.1309","0.1513","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546032","12.7471","0.0007","12.3553","0.0006","15.5929","0.0011","90","","101.189","0.006","90","","2409.1","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0719","0.0472","","","0.1086","0.1246","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546033","8.1304","0.0004","12.3569","0.0007","12.7925","0.0007","82.084","0.004","86.551","0.004","72.325","0.004","1212.65","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O4 S2 -","- C27 H28 N2 O4 S2 -","- C54 H56 N4 O8 S4 -","2","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0617","0.0448","","","0.1145","0.1274","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546072","13.939","0.002","11.8628","0.0016","12.342","0.002","90","","105.579","0.018","90","","1965.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O4 S -","- C23 H18 O4 S -","- C92 H72 O16 S4 -","4","1","","Wu, Wanqing; Yi, Songjian; Huang, Wei; Luo, Di; Jiang, Huanfeng","Ag-Catalyzed Oxidative Cyclization Reaction of 1,6-Enynes and Sodium Sulfinate: Access to Sulfonylated Benzofurans.","Organic letters","2017","19","11","2825","2828","10.1021/acs.orglett.7b00980","","","0.71","synchrotron","","0.0693","0.0431","","","0.0935","0.1066","","","","","","1.0608","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546073","9.6711","0.0006","19.4443","0.0014","11.2024","0.0007","90","","95.091","0.006","90","","2098.3","0.2","292.13","0.1","292.13","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.7107","MoKα","","0.204","0.0758","","","0.1386","0.1956","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546074","25.91","0.02","11.234","0.009","17.776","0.014","90","","126.13","0.007","90","","4179","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.0953","0.0482","","","0.1129","0.1405","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546075","8.4092","0.0011","18.977","0.002","21.008","0.003","90","","92.133","0.012","90","","3350.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","2","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.2311","0.0995","","","0.2197","0.2904","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546076","7.5258","0.0004","11.7781","0.0005","12.4974","0.0006","80.639","0.004","77.851","0.004","78.666","0.004","1053.3","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0576","0.0529","","","0.146","0.1528","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546077","10.1412","0.0016","18.601","0.004","11.3292","0.0016","90","","91.857","0.014","90","","2136","0.6","292.11","0.1","292.11","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br N O5 -","- C24 H22 Br N O5 -","- C96 H88 Br4 N4 O20 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.7107","MoKα","","0.1809","0.0773","","","0.1765","0.2735","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546079","7.611","0.002","11.49","0.003","11.506","0.003","105.352","0.009","94.19","0.009","109.278","0.008","901.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin","Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation.","Organic letters","2017","19","11","3017","3020","10.1021/acs.orglett.7b01303","","","0.71073","MoKα","","0.0661","0.0468","","","0.1034","0.1114","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546086","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","197503","2020-10-21","18:00:00",""
"1546087","9.73","0.002","10.167","0.002","21.994","0.006","90","","90","","90","","2175.8","0.9","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C88 H96 Br4 N4 O12 S4 -","4","1","","Ueda, Hiroki; Masutomi, Koji; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cyclization of 1,6-Enynes with Aliphatic and Aromatic Alkenes.","Organic letters","2017","19","11","2913","2916","10.1021/acs.orglett.7b01149","","x-ray","0.71073","MoKα","","0.1496","0.0731","","","0.1767","0.2087","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546088","8.332","0.002","16.762","0.004","18.465","0.005","114.14","0.003","92.762","0.003","92.985","0.003","2343.3","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H43 B Cl3 F2 N3 O8 -","- C53 H43 B Cl3 F2 N3 O8 -","- C106 H86 B2 Cl6 F4 N6 O16 -","2","1","","Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian","Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.","Organic letters","2017","19","11","2893","2896","10.1021/acs.orglett.7b01133","","","0.71073","MoKα","","0.086","0.0665","","","0.1817","0.1999","","","","","","1.063","","","","has coordinates,has disorder","197512","2020-10-21","18:00:00",""
"1546089","12.926","0.008","11.204","0.007","19.694","0.009","90","","123","0.03","90","","2392","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C52.5 H47 B Cl F2 N3 O8 -","- C52.5 H47 B Cl F2 N3 O8 -","- C105 H94 B2 Cl2 F4 N6 O16 -","2","0.5","","Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian","Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.","Organic letters","2017","19","11","2893","2896","10.1021/acs.orglett.7b01133","","","0.71073","MoKα","","0.2169","0.0996","","","0.2177","0.273","","","","","","1.021","","","","has coordinates,has disorder","197512","2020-10-21","18:00:00",""
"1546094","9.8947","0.0003","8.25","0.0003","12.8004","0.0004","90","","110.44","0.001","90","","979.12","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Transfer of Chirality in the Rhodium-Catalyzed Chemoselective and Regioselective Allylic Alkylation of Hydroxyarenes with Vinyl Aziridines.","Organic letters","2017","19","11","2897","2900","10.1021/acs.orglett.7b01136","","","0.71073","MoKα","","0.0415","0.0347","","","0.0861","0.0906","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546096","8.3201","0.0002","7.3604","0.0002","14.5839","0.0003","90","","105.938","0.002","90","","858.78","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Kumar, Mukesh; Chauhan, Pankaj; Valkonen, Arto; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Functionalized Tricyclic Chromanes via an Organocatalytic Triple Domino Reaction.","Organic letters","2017","19","11","3025","3028","10.1021/acs.orglett.7b01322","","","1.54184","CuKα","","0.0327","0.031","","","0.075","0.0766","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546097","15.0424","0.0012","9.1167","0.0007","42.181","0.003","90","","96.995","0.001","90","","5741.5","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F6 N O2 -","- C14 H13 F6 N O2 -","- C224 H208 F96 N16 O32 -","16","4","","Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A.","Trifluoromethylation of Secondary Nitroalkanes.","Organic letters","2017","19","11","2957","2960","10.1021/acs.orglett.7b01196","","","0.71073","MoKα","","0.0884","0.0592","","","0.1374","0.1533","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546098","18.6492","0.0019","18.6492","0.0019","12.5645","0.0015","90","","90","","120","","3784.4","0.7","298","2","298","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","1","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0312","0.0306","","","0.083","0.0837","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546099","17.1874","0.0008","17.1874","0.0008","42.085","0.002","90","","90","","120","","10766.6","0.9","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H36 O11 -","- C20 H36 O11 -","- C360 H648 O198 -","18","3","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0633","0.0607","","","0.1674","0.1709","","","","","","1.018","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546106","21.2016","0.0013","21.2016","0.0013","7.9468","0.0005","90","","90","","90","","3572.1","0.4","210","2","210","2","","","","","","","","4","P -4 21 c","P -4 2n","114","NB-078-023","","","- C17 H27 N O3.5 -","- C17 H27 N O3.5 -","- C136 H216 N8 O28 -","8","1","","Shymanska, Nataliia V.; Pierce, Joshua G.","Stereoselective Synthesis of Quaternary Pyrrolidine-2,3-diones and β-Amino Acids.","Organic letters","2017","19","11","2961","2964","10.1021/acs.orglett.7b01185","","","0.71073","MoKα","","0.0736","0.0582","","","0.1486","0.1583","","","","","","1.085","","","","has coordinates","197500","2020-10-21","18:00:00",""
"1546107","9.3051","0.0001","12.8967","0.0001","23.172","0.0001","90","","90","","90","","2780.76","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 O5 -","- C32 H42 O5 -","- C128 H168 O20 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Yin, Yong; Luo, Jian-Guang; Kong, Ling-Yi","Xylopiana A, a Dimeric Guaiane with a Case-Shaped Core from Xylopia vielana: Structural Elucidation and Biomimetic Conversion.","Organic letters","2017","19","11","3013","3016","10.1021/acs.orglett.7b01276","","","1.54184","CuKα","","0.0334","0.0329","","","0.0952","0.0957","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546124","15.862","0.002","15.219","0.002","18.723","0.003","90","","90","","90","","4519.8","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0756","0.052","","","0.1406","0.1577","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546164","10.927","0.002","5.4369","0.0014","13.378","0.002","90","","100.686","0.004","90","","781","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C34 H48 O6 -","2","1","","Liu, Yun-Ting; Chen, Ji-Qiang; Li, Lin-Ping; Shao, Xin-Yang; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Tetrasubstituted Cyclic Enones to Chiral Cycloalkanols with Three Contiguous Stereocenters.","Organic letters","2017","19","12","3231","3234","10.1021/acs.orglett.7b01343","","","1.54187","CuKα","","0.0325","0.0304","","","0.0861","0.0909","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546165","10.8731","0.0004","11.2643","0.0004","14.1668","0.0004","92.003","0.002","93.9208","0.0019","101.502","0.002","1694.2","0.1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","2","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0522","0.0405","","","0.0971","0.1038","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546166","8.999","0.0006","9.833","0.0006","17.8989","0.0011","90","","101.692","0.002","90","","1550.96","0.17","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0375","0.036","","","0.091","0.0923","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546167","9.945","0.0005","10.1542","0.0005","10.9266","0.0006","73.626","0.002","65.348","0.002","74.857","0.002","949.02","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O7 -","- C19 H28 O7 -","- C38 H56 O14 -","2","1","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0419","0.0387","","","0.104","0.1074","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546188","10.4008","0.0008","19.8632","0.0015","8.9591","0.0007","90","","91.71","0.002","90","","1850.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.1376","0.0845","","","0.1632","0.1859","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546189","9.4297","0.0016","9.7758","0.0016","18.503","0.003","90","","103.717","0.011","90","","1657","0.5","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.152","0.085","","","0.1721","0.1976","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546190","8.098","0.003","14.164","0.005","11.844","0.005","90","","98.751","0.015","90","","1342.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan","Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles.","Organic letters","2017","19","12","3119","3122","10.1021/acs.orglett.7b01233","","","0.71073","MoKα","","0.1175","0.0601","","","0.1283","0.1494","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546191","9.593","0.006","16.282","0.009","12.782","0.007","90","","100.516","0.018","90","","1963","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan","Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles.","Organic letters","2017","19","12","3119","3122","10.1021/acs.orglett.7b01233","","","0.71073","MoKα","","0.1394","0.0606","","","0.0973","0.1175","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546192","11.1357","0.0016","12.5468","0.0019","22.93","0.003","90","","90","","90","","3203.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 -","- C19 H26 N2 -","- C152 H208 N16 -","8","2","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.1259","0.0769","","","0.1942","0.233","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546195","8.5342","0.0014","8.687","0.0014","18.025","0.003","88.68","0.003","84.146","0.003","78.769","0.003","1303.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br2 N5 O4 -","- C28 H23 Br2 N5 O4 -","- C56 H46 Br4 N10 O8 -","2","1","","Wang, Xiao; Wu, Lin; Yang, Peng; Song, Xiang-Jia; Ren, Hong-Xia; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Base Catalyzed Michael Addition with β-Nitrostyrene via C3 Umpolung of Oxindole.","Organic letters","2017","19","12","3051","3054","10.1021/acs.orglett.7b01063","","","0.71073","MoKα","","0.0578","0.0405","","","0.0997","0.1069","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546197","13.5017","0.0003","18.3754","0.0002","16.0677","0.0002","90","","104.555","0.0017","90","","3858.45","0.11","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81.02 H72.05 Cl4.05 F12 N4 O8 Sb2 -","- C81.024 H72.048 Cl4.048 F12 N4 O8 Sb2 -","- C162.048 H144.096 Cl8.096 F24 N8 O16 Sb4 -","2","0.5","","Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro","Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes.","Organic letters","2017","19","12","3115","3118","10.1021/acs.orglett.7b01229","","","1.54187","CuKα","","0.0559","0.0475","","","0.1276","0.1337","","","","","","1.029","","","","has coordinates,has disorder","198437","2020-10-21","18:00:00",""
"1546198","12.556","0.002","18.88","0.003","24.126","0.004","90","","91.189","0.003","90","","5718","1.6","143","","143","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H38 B F20 N2 O4 -","- C67 H38 B F20 N2 O4 -","- C268 H152 B4 F80 N8 O16 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro","Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes.","Organic letters","2017","19","12","3115","3118","10.1021/acs.orglett.7b01229","","","0.71075","MoKα","","0.0911","0.0661","","","0.153","0.1681","","","","","","1.115","","","","has coordinates","198437","2020-10-21","18:00:00",""
"1546207","11.2706","0.0003","28.0835","0.0008","10.5737","0.0003","90","","116.053","0.001","90","","3006.69","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl3 N2 O2 Si -","- C30 H33 Cl3 N2 O2 Si -","- C120 H132 Cl12 N8 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","1.54178","CuKα","","0.0444","0.0367","","","0.0903","0.0945","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546208","28.8798","0.0002","28.8798","0.0002","25.2097","0.0003","90","","90","","120","","18209","0.3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H70 I2 N36 O16 -","- C66 H70 I2 N36 O16 -","- C594 H630 I18 N324 O144 -","9","0.5","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0474","0.0359","","","0.0876","0.0935","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546209","5.4544","0.0001","18.7828","0.0004","14.6592","0.0003","90","","92.914","0.002","90","","1499.88","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C64 H80 N16 O8 -","4","1","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0512","0.0416","","","0.1018","0.108","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546210","9.198","0.006","9.442","0.004","15.292","0.007","90","","104.995","0.01","90","","1282.8","1.2","298","","298","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","0.71073","MoKα","","0.0939","0.0733","","","0.1764","0.2425","","","","","","1.241","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546211","4.4612","0.0002","11.7056","0.0005","13.0331","0.0005","67.332","0.002","89.169","0.002","81.812","0.002","621.02","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Br N -","- C16 H12 Br N -","- C32 H24 Br2 N2 -","2","1","","Kumar, Gangam Srikanth; Kumar, Pravin; Kapur, Manmohan","Traceless Directing-Group Strategy in the Ru-Catalyzed, Formal [3 + 3] Annulation of Anilines with Allyl Alcohols: A One-Pot, Domino Approach for the Synthesis of Quinolines.","Organic letters","2017","19","10","2494","2497","10.1021/acs.orglett.7b00715","","","0.71073","MoKα","","0.0187","0.0176","","","0.0471","0.0476","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546212","8.0393","0.0002","8.6325","0.0003","13.2604","0.0004","90","","90.9524","0.0018","90","","920.13","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C42 H46 N6 O6 -","2","1","","Tooriyama, Shino; Mimori, Yuji; Wu, Yuqiu; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Pentacyclic Indole Alkaloid Andranginine and Absolute Configuration of Natural Product Isolated from Kopsia arborea.","Organic letters","2017","19","10","2722","2725","10.1021/acs.orglett.7b01076","","","1.54187","CuKα","","0.0671","0.0441","","","0.109","0.1316","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546213","10.0435","0.0012","10.7709","0.0014","24.399","0.003","90","","90","","90","","2639.4","0.6","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C100 H116 Br4 N8 O24 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0896","0.0476","","","0.0825","0.093","","","","","","0.951","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546214","9.6689","0.0005","13.7338","0.0007","17.9303","0.0011","90","","90","","90","","2381","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Br N3 O5 -","- C24 H30 Br N3 O5 -","- C96 H120 Br4 N12 O20 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0229","0.0202","","","0.0457","0.0463","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546215","25.771","0.003","6.8258","0.0008","7.1894","0.0005","90","","90","","90","","1264.7","0.2","293","2","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.71073","MoKα","","0.066","0.045","","","0.11","0.1235","","","","","","1.038","","","","has coordinates","197360","2020-10-21","18:00:00",""
"1546216","18.3137","0.0012","12.486","0.0007","4.8092","0.0004","90","","90","","90","","1099.7","0.13","175.3","","175.3","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.7107","MoKα","","0.0586","0.0474","","","0.1092","0.1178","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546217","6.2656","0.0005","15.4462","0.0011","8.1799","0.0006","90","","94.209","0.003","90","","789.51","0.1","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C42 H30 F2 O4 -","2","1","","Zhang, Zong-Feng; Zhu, Dong-Xing; Chen, Wen-Wen; Xu, Bin; Xu, Ming-Hua","Enantioselective Synthesis of gem-Diaryl Benzofuran-3(2H)-ones via One-Pot Asymmetric Rhodium/Palladium Relay Catalysis.","Organic letters","2017","19","10","2726","2729","10.1021/acs.orglett.7b01070","","","1.54178","CuKα","","0.0311","0.0306","","","0.0828","0.0835","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546218","21.6276","0.0014","21.6276","0.0014","8.1936","0.0006","90","","90","","90","","3832.6","0.4","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C184 H120 N24 O16 -","8","1","","Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Silver(I)-Catalyzed Regioselective Synthesis of Triazole Fused-1,5-Benzoxazocinones.","Organic letters","2017","19","9","2370","2373","10.1021/acs.orglett.7b00907","","","0.71073","MoKα","","0.1274","0.0981","","","0.2457","0.2641","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546219","10.77","0.005","15.109","0.007","17.72","0.007","90","","90","","90","","2883","2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N O11 -","- C28 H41 N O11 -","- C112 H164 N4 O44 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0626","0.0547","","","0.1189","0.1225","","","","","","1.133","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546220","7.784","0.0002","9.7886","0.0003","14.7958","0.0005","90","","90","","90","","1127.36","0.06","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O3 -","- C11 H19 N O3 -","- C44 H76 N4 O12 -","4","1","","Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa","Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction.","Organic letters","2017","19","9","2390","2393","10.1021/acs.orglett.7b00918","","","1.54187","CuKα","","0.0508","0.0477","","","0.1197","0.1262","","","","","","1.085","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546221","10.5792","0.0007","12.2534","0.0009","20.4903","0.0016","90","","90","","90","","2656.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Br N O2 -","- C27 H36 Br N O2 -","- C108 H144 Br4 N4 O8 -","4","1","","Roiser, Lukas; Waser, Mario","Enantioselective Spirocyclopropanation of para-Quinone Methides Using Ammonium Ylides.","Organic letters","2017","19","9","2338","2341","10.1021/acs.orglett.7b00869","","","0.71073","MoKα","","0.0465","0.0363","","","0.0904","0.0953","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546222","9.4386","0.0011","11.6291","0.0013","14.6798","0.0017","90","","93.296","0.003","90","","1608.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","2","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0885","0.0458","","","0.0861","0.1008","","","","","","0.964","","","","has coordinates,has disorder","197367","2020-10-21","18:00:00",""
"1546223","10.6637","0.0014","10.7733","0.0014","18.111","0.003","90","","90","","90","","2080.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl2 O -","- C26 H20 Cl2 O -","- C104 H80 Cl8 O4 -","4","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0497","0.0417","","","0.0998","0.1047","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546224","9.717","0.008","11.448","0.008","10.196","0.008","90","","112.48","0.006","90","","1048","1.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C50 H46 N2 O4 S2 -","2","1","","Najib, Atifah; Hirano, Koji; Miura, Masahiro","Palladium-Catalyzed Asymmetric Benzylic Substitution of Secondary Benzyl Carbonates with Nitrogen and Oxygen Nucleophiles.","Organic letters","2017","19","9","2438","2441","10.1021/acs.orglett.7b01022","","","0.71075","MoKα","","0.0378","0.0351","","","0.0855","0.0877","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546225","19.884","0.002","8.5199","0.0008","15.7656","0.0016","90","","99.117","0.007","90","","2637.1","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O2 S -","- C29 H38 N2 O2 S -","- C116 H152 N8 O8 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0823","0.0447","","","0.0954","0.1099","","","","","","1.018","","","","has coordinates","197370","2020-10-21","18:00:00",""
"1546226","13.1459","0.0006","11.374","0.0006","15.2985","0.0007","90","","92.322","0.004","90","","2285.58","0.19","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C108 H104 N8 O8 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0919","0.0498","","","0.1016","0.1164","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546227","9.2471","0.0009","10.0565","0.0009","12.1074","0.0011","83.941","0.005","76.636","0.005","83.733","0.005","1085.11","0.18","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O3 S -","- C25 H31 N O3 S -","- C50 H62 N2 O6 S2 -","2","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0471","0.0379","","","0.1016","0.1085","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546228","20.5163","0.001","16.682","0.0008","7.9278","0.0004","90","","90","","90","","2713.3","0.2","90","0.5","90","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 Cl2 N2 O3 S -","- C29 H30 Cl2 N2 O3 S -","- C116 H120 Cl8 N8 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.039","0.034","","","0.0841","0.0876","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546229","12.3798","0.0008","23.4215","0.0016","8.3687","0.0006","90","","109.349","0.002","90","","2289.5","0.3","90","0.5","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C108 H108 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0502","0.0367","","","0.0881","0.0966","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546230","5.9068","0.0003","13.7441","0.0007","14.5687","0.0008","109.313","0.004","100.073","0.004","97.026","0.004","1078.12","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C50 H54 N2 O4 S2 -","2","1","","Maiti, Saikat; Mal, Prasenjit","Dehydrogenative Aromatic Ring Fusion for Carbazole Synthesis via C-C/C-N Bond Formation and Alkyl Migration.","Organic letters","2017","19","9","2454","2457","10.1021/acs.orglett.7b01117","","","0.71073","MoKα","","0.0558","0.0433","","","0.1106","0.1185","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546231","9.9922","0.0018","19.11","0.004","21.951","0.004","89.352","0.002","86.158","0.002","85.402","0.002","4168.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C204 H168 N12 O12 -","6","3","","Zheng, Jiuan; Li, Panpan; Gu, Meng; Lin, Aijun; Yao, Hequan","Synthesis of Spiropentadiene Pyrazolones by Rh(III)-Catalyzed Formal sp(3) C-H Activation/Annulation.","Organic letters","2017","19","11","2829","2832","10.1021/acs.orglett.7b00930","","","0.71073","MoKα","","0.0875","0.0571","","","0.2088","0.236","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546232","10.4652","0.0012","10.8048","0.0011","17.209","0.002","90","","105.635","0.003","90","","1873.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N O -","- C24 H14 F3 N O -","- C96 H56 F12 N4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0944","0.0497","","","0.128","0.1571","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546233","10.6016","0.0003","6.4032","0.0002","27.3243","0.0009","90","","91.4282","0.0016","90","","1854.31","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F3 N O4 -","- C20 H20 F3 N O4 -","- C80 H80 F12 N4 O16 -","4","1","","Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A.","Trifluoromethylation of Secondary Nitroalkanes.","Organic letters","2017","19","11","2957","2960","10.1021/acs.orglett.7b01196","","","1.54178","CuKα","","0.052","0.0471","","","0.1387","0.1433","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546234","7.3583","0.0003","8.6653","0.0003","15.7812","0.0005","94.049","0.003","95.948","0.003","105.631","0.003","958.7","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O5 -","- C22 H20 N4 O5 -","- C44 H40 N8 O10 -","2","1","","Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin","Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation.","Organic letters","2017","19","11","3017","3020","10.1021/acs.orglett.7b01303","","","1.54184","CuKα","","0.0406","0.0381","","","0.0986","0.1012","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546235","11.9761","0.001","12.0471","0.0008","17.418","0.0013","90","","98.702","0.007","90","","2484.1","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O6 S2 -","- C26 H25 N3 O6 S2 -","- C104 H100 N12 O24 S8 -","4","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0578","0.0393","","","0.0836","0.0936","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546236","7.58618","0.00009","16.9757","0.0002","15.6843","0.0002","90","","93.0656","0.0011","90","","2016.94","0.04","294.39","0.1","294.39","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N2 O Rh -","- C22 H24 Cl N2 O Rh -","- C88 H96 Cl4 N8 O4 Rh4 -","4","1","","Long, Zhen; Wang, Zhigang; Zhou, Danni; Wan, Danyang; You, Jingsong","Rh(III)-Catalyzed Regio- and Chemoselective [4 + 1]-Annulation of Azoxy Compounds with Diazoesters for the Synthesis of 2H-Indazoles: Roles of the Azoxy Oxygen Atom.","Organic letters","2017","19","11","2777","2780","10.1021/acs.orglett.7b00631","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1379","0.1441","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546237","14.8441","0.0002","10.42006","0.00018","14.7439","0.0003","90","","90","","90","","2280.53","0.07","294.4","0.1","294.4","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0417","0.0404","","","0.1066","0.1089","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546238","8.1791","0.0006","8.4632","0.0004","11.3125","0.0009","70.672","0.006","84.194","0.007","80.842","0.005","728.52","0.09","292.5","0.2","292.5","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.0626","0.0462","","","0.103","0.1147","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546239","18.6655","0.0011","18.6655","0.0011","8.1126","0.0005","90","","90","","120","","2447.8","0.3","195","2","195","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C126 H120 N12 -","6","1","","Zhu, Zhengbo; Seidel, Daniel","Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization.","Organic letters","2017","19","11","2841","2844","10.1021/acs.orglett.7b01047","","","0.71073","MoKα","","0.0516","0.0449","","","0.0995","0.1035","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546241","9.5081","0.0013","13.6271","0.0019","14.3689","0.0019","105.485","0.007","106.87","0.007","99.403","0.008","1657.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 F3 N3 O2 -","- C41 H34 F3 N3 O2 -","- C82 H68 F6 N6 O4 -","2","1","","Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming","Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.","Organic letters","2017","19","12","3103","3106","10.1021/acs.orglett.7b01224","","","0.71073","MoKα","","0.0665","0.0483","","","0.1265","0.1394","","","","","","1.074","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546242","9.4864","0.0011","9.9158","0.0011","15.8741","0.0018","82.816","0.003","79.911","0.002","71.445","0.003","1389.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N3 O4 S -","- C33 H27 N3 O4 S -","- C66 H54 N6 O8 S2 -","2","1","","Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming","Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.","Organic letters","2017","19","12","3103","3106","10.1021/acs.orglett.7b01224","","","0.71073","MoKα","","0.0494","0.0407","","","0.1038","0.1104","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546272","14.953","0.002","15.734","0.003","17.704","0.003","78.652","0.003","66.812","0.003","72.621","0.003","3639.1","1.1","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H20 -","- C40 H20 -","- C240 H120 -","6","3","","Nobusue, Shunpei; Fujita, Kazuya; Tobe, Yoshito","Skeletal Rearrangement of Twisted Polycyclic Aromatic Hydrocarbons under Scholl Reaction Conditions.","Organic letters","2017","19","12","3227","3230","10.1021/acs.orglett.7b01341","","","0.71075","MoKα","","0.166","0.0929","","","0.2182","0.2703","","","","","","1.032","","","","has coordinates,has disorder","198430","2020-10-21","18:00:00",""
"1546274","11.7785","0.0012","8.8637","0.0005","13.5121","0.001","90","","111.79","0.011","90","","1309.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Chen, Fei; Zhu, Fei-Fei; Zhang, Man; Liu, Rui-Hua; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Oxycyanation and Aminocyanation of Unactivated Alkenes: Synthesis of Cyano-Featured Isoxazolines and Cyclic Nitrones.","Organic letters","2017","19","12","3255","3258","10.1021/acs.orglett.7b00826","","","0.7107","MoKα","","0.1208","0.0634","","","0.1262","0.1648","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546278","15.5228","0.0002","7.4794","0.0001","17.7719","0.0003","90","","110.099","0.002","90","","1937.68","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","170401NO","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.12","0.1212","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546279","7.1051","0.0001","12.3289","0.0002","21.5929","0.0003","90","","90","","90","","1891.5","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3a","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1016","0.1038","","","","","","0.977","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546280","9.675","0.004","22.388","0.008","9.675","0.004","90","","118.2","","90","","1846.9","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.","Organic letters","2017","19","12","3319","3322","10.1021/acs.orglett.7b01492","","","0.71073","MoKα","","0.0848","0.0504","","","0.1462","0.1592","","","","","","0.918","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546281","11.585","0.005","14.556","0.007","11.74","0.005","90","","94.733","0.006","90","","1973","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.","Organic letters","2017","19","12","3319","3322","10.1021/acs.orglett.7b01492","","","0.71073","MoKα","","0.0507","0.0414","","","0.1068","0.116","","","","","","0.995","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546285","11.222","0.005","17.755","0.008","11.216","0.005","90","","96.775","0.008","90","","2219.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O6 S -","- C25 H29 N O6 S -","- C100 H116 N4 O24 S4 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1809","0.0759","","","0.1553","0.2012","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546305","7.0397","0.0002","9.0581","0.0003","15.2974","0.0005","90","","90","","90","","975.46","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0311","0.0305","","","0.0823","0.0827","","","","","","1.503","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546306","13.0555","0.0003","9.4842","0.0002","8.191","0.0002","90","","94.6099","0.0009","90","","1010.94","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0297","0.0275","","","0.0754","0.0773","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546307","5.332","0.003","19.341","0.009","14.278","0.007","90","","93.816","0.009","90","","1469.2","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Duan, Xiyan; Yang, Kun; Lu, Jun; Kong, Xianglei; Liu, Ning; Ma, Junying","Base-Mediated Cascade Substitution-Cyclization of 2H-Azirines: Access to Highly Substituted Oxazoles.","Organic letters","2017","19","13","3370","3373","10.1021/acs.orglett.7b01305","","","0.71073","MoKα","","0.0691","0.0422","","","0.0986","0.1128","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546313","22.549","0.002","5.7466","0.0005","11.4612","0.0012","90","","105.767","0.006","90","","1429.3","0.2","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","Fiaud's acid","(2R,5R)-1-hydroxy-2,5-diphenylphospholane 1-oxide","","- C16 H17 O2 P -","- C16 H17 O2 P -","- C64 H68 O8 P4 -","4","1","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.0442","0.0388","","","0.1013","0.1177","","","","","","1.178","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546314","11.62","0.005","12.325","0.005","15.818","0.005","90","0.005","97.163","0.005","90","0.005","2247.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C116 H96 N8 O8 S4 -","4","1","","Pradhan, Sajan; Shahi, Chandan Kumar; Bhattacharyya, Aditya; Chauhan, Navya; Ghorai, Manas K.","Syntheses of Tetrahydrobenzoazepinoindoles and Dihydrobenzodiazepinoindoles via Ring-Opening Cyclization of Activated Aziridines with 2-(2-Bromophenyl)-1H-indoles.","Organic letters","2017","19","13","3438","3441","10.1021/acs.orglett.7b01397","","","0.71073","MoKα","","0.0644","0.0412","","","0.1045","0.1277","","","","","","1.151","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546315","15.766","0.002","11.5833","0.0016","17.044","0.002","90","","90","","90","","3112.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0733","0.0476","","","0.1132","0.1274","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546316","7.367","0.005","19.893","0.015","20.426","0.015","90","","90","","90","","2993","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0829","0.0656","","","0.1951","0.214","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546317","29.348","0.0019","29.348","0.0019","5.4131","0.0004","90","","90","","120","","4037.7","0.5","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C26 H34 Cl N O5 S -","- C26 H34 Cl N O5 S -","- C156 H204 Cl6 N6 O30 S6 -","6","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71075","MoKα","K-L~3~","0.2199","0.1018","","","0.207","0.2642","","","","","","1.005","","","","has coordinates,has disorder","200754","2020-10-21","18:00:00",""
"1546318","6.08925","0.00015","10.1967","0.0002","21.7891","0.0007","90","","90","","90","","1352.89","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.0436","0.0377","","","0.0825","0.0855","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546319","6.4385","0.0007","17.461","0.002","19.3045","0.0016","90","","90","","90","","2170.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl N O4 S -","- C20 H28 Cl N O4 S -","- C80 H112 Cl4 N4 O16 S4 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.1958","0.1323","","","0.3192","0.3642","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546327","9.4731","0.0013","12.733","0.0018","18.302","0.003","73.8","0.002","79.595","0.002","73.498","0.002","2020.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.0992","0.0548","","","0.1231","0.1414","","","","","","1.039","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546328","8.9205","0.0007","9.2312","0.0006","24.273","0.002","90","","90","","90","","1998.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0544","0.0393","","","0.0821","0.0921","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546329","6.3642","0.0005","16.7315","0.0016","18.611","0.0019","90","","96.317","0.007","90","","1969.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0932","0.0596","","","0.1442","0.1745","","","","","","1.011","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546353","7.2912","0.0009","8.1947","0.001","9.5912","0.0011","106.422","0.003","100.106","0.004","113.184","0.003","477.83","0.1","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H14 Mn2 N4 O6 -","- C18 H14 Mn2 N4 O6 -","- C18 H14 Mn2 N4 O6 -","1","0.5","","Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste","Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.","Organic letters","2017","19","13","3656","3659","10.1021/acs.orglett.7b01657","","x-ray","0.71073","MoKα","","0.028","0.0262","","","0.0982","0.1075","","","","","","1.373","","","","has coordinates","200733","2020-10-21","18:00:00",""
"1546355","14.885","0.006","20.472","0.007","18.004","0.007","90","","91.102","0.013","90","","5485","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H82 N8 O13 -","- C47 H82 N8 O13 -","- C188 H328 N32 O52 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.4006","0.114","","","0.2096","0.3162","","","","","","0.919","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546356","9.289","0.004","20.701","0.008","10.602","0.006","90","","115.928","0.01","90","","1833.5","1.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C56 H104 N8 O24 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.2068","0.0713","","","0.1463","0.2022","","","","","","0.91","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546362","11.629","0.008","12.235","0.008","5.656","0.004","90","","90","","90","","804.7","1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0834","0.0724","","","0.1755","0.184","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546363","6.823","0.0019","7.936","0.002","14.34","0.004","90","","97.758","0.007","90","","769.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 -","- C19 H22 N2 -","- C38 H44 N4 -","2","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0767","0.0551","","","0.1155","0.1263","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546364","20.168","0.002","20.168","0.002","11.2557","0.0012","90","","90","","120","","3964.9","0.7","296","2","296.15","","","","","","","","","3","P 32","P 32","145","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C180 H234 N18 -","9","3","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.136","0.0526","","","0.126","0.1656","","","","","","0.96","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546374","10.1299","0.001","8.6369","0.0008","15.8434","0.0015","90","","93.226","0.002","90","","1384","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 Br2 O3 -","- C31 H28 Br2 O3 -","- C62 H56 Br4 O6 -","2","1","","Kotani, Shunsuke; Kai, Kosuke; Sugiura, Masaharu; Nakajima, Makoto","Sequential Catalysis of Phosphine Oxide for Stereoselective Synthesis of Stereopentads.","Organic letters","2017","19","13","3672","3675","10.1021/acs.orglett.7b01719","","","0.71075","MoKα","","0.1028","0.0593","","","0.1763","0.2072","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546381","10.4274","0.0009","11.0126","0.001","11.684","0.001","93.516","0.001","114.832","0.001","111.078","0.001","1099.88","0.17","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C48 H56 N4 O8 S2 -","2","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0382","0.0343","","","0.0986","0.1028","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546408","8.174","0.0012","13.0525","0.0018","19.466","0.003","90","","90","","90","","2076.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O Si -","- C22 H27 N O Si -","- C88 H108 N4 O4 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.06","0.0489","","","0.1124","0.1183","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546409","20.188","0.003","10.6143","0.0018","13.479","0.002","90","","91.456","0.004","90","","2887.4","0.8","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 B N O3 Si -","- C32 H40 B N O3 Si -","- C128 H160 B4 N4 O12 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.168","0.0987","","","0.2578","0.3189","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546419","12.428","0.004","5.8759","0.0018","21.526","0.006","90","","99.276","0.008","90","","1551.4","0.8","296","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H34 Br N O5 -","- C34 H34 Br N O5 -","- C68 H68 Br2 N2 O10 -","2","1","","Ni, Chunjie; Chen, Jiangfei; Zhang, Yuwen; Hou, Yading; Wang, Dong; Tong, Xiaofeng; Zhu, Shou-Fei; Zhou, Qi-Lin","Phosphine-Catalyzed Asymmetric (3 + 2) Annulations of δ-Acetoxy Allenoates with β-Carbonyl Amides: Enantioselective Synthesis of Spirocyclic β-Keto γ-Lactams.","Organic letters","2017","19","13","3668","3671","10.1021/acs.orglett.7b01717","","","0.71073","MoKα","","0.192","0.0638","","","0.1619","0.2236","","","","","","0.894","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546420","11.167","0.003","8.117","0.002","13.629","0.004","90","","105.213","0.004","90","","1192.1","0.6","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi","Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide.","Organic letters","2017","19","13","3422","3425","10.1021/acs.orglett.7b01378","","","0.71075","MoKα","","0.035","0.0327","","","0.0998","0.1013","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546421","31.325","0.003","4.708","0.0004","15.8478","0.0011","90","","90","","90","","2337.2","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 N5 O8 S -","- C23 H23 N5 O8 S -","- C92 H92 N20 O32 S4 -","4","1","","Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L.","Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines.","Organic letters","2017","19","13","3568","3571","10.1021/acs.orglett.7b01543","","","1.54178","CuKα","","0.0614","0.0524","","","0.1341","0.1393","","","","","","1.024","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546422","12.1801","0.0015","14.4847","0.0018","15.6426","0.0019","89.1","0.003","82.956","0.003","66.053","0.002","2501.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Br N O3 S -","- C12 H10 Br N O3 S -","- C96 H80 Br8 N8 O24 S8 -","8","4","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0965","0.0495","","","0.108","0.1284","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546423","5.4587","0.001","9.1326","0.0016","24.374","0.004","90","","90","","90","","1215.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0645","0.0584","","","0.1617","0.1684","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546424","7.8871","0.0004","9.2527","0.0005","10.7496","0.0006","70.765","0.003","76.025","0.003","77.074","0.003","709.81","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PD-VII-236","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0539","0.0416","","","0.113","0.1223","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546425","10.6907","0.0011","11.1788","0.0011","11.708","0.0012","112.885","0.003","105.439","0.003","102.793","0.002","1156.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AEW-III-124-recryst","","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C58 H50 N6 O2 -","2","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0655","0.0451","","","0.1166","0.1297","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546426","9.3259","0.0005","19.0277","0.0011","23.1597","0.0009","90","","90","","90","","4109.7","0.4","236","12","236","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C200 H168 N8 O24 S8 -","8","2","","Xu, Dengyu; Zhao, Yulong; Song, Dengpeng; Zhong, Zhuliang; Feng, Shangbiao; Xie, Xingang; Wang, Xiaolei; She, Xuegong","(3 + 2)-Annulation of p-Quinamine and Aryne: A Strategy To Construct the Multisubstituted Hydrocarbazoles.","Organic letters","2017","19","13","3600","3603","10.1021/acs.orglett.7b01578","","","0.71073","MoKα","","0.1186","0.0669","","","0.0949","0.1245","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546431","20.1484","0.0007","23.5395","0.0007","16.3621","0.0005","90","","113.8","0.002","90","","7100.3","0.4","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O16 -","- C40 H48 O16 -","- C320 H384 O128 -","8","1","","Zafrani, Yossi; Cohen, Yoram","Calix[4, 5]tetrolarenes: A New Family of Macrocycles.","Organic letters","2017","19","14","3719","3722","10.1021/acs.orglett.7b01511","","","0.71073","MoKα","","0.0698","0.0447","","","0.1061","0.1206","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546434","10.6364","0.001","13.3605","0.0013","13.3662","0.0012","90","","91.547","0.003","90","","1898.7","0.3","123","","123","","","","","","","","Prince Ravat","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br2 O2 -","- C24 H16 Br2 O2 -","- C96 H64 Br8 O8 -","4","1","","Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal","Configurational Stability of [5]Helicenes.","Organic letters","2017","19","14","3707","3710","10.1021/acs.orglett.7b01461","","","1.54178","CuKα","","0.0209","0.0208","","0.0465","0.0465","0.0465","","","","","","0.8945","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546461","7.4046","0.0011","21.681","0.003","10.616","0.0016","90","","100.034","0.003","90","","1678.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C72 H76 N12 O12 S4 -","4","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0476","0.0392","","","0.1018","0.1086","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546462","11.366","0.003","12.273","0.003","13.051","0.003","107.953","0.005","93.513","0.005","111.951","0.005","1573.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N3 O3 S -","- C37 H33 N3 O3 S -","- C74 H66 N6 O6 S2 -","2","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.1111","0.0738","","","0.1861","0.2097","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546463","9.468","0.003","19.074","0.007","9.275","0.003","90","","103.8","0.02","90","","1626.6","1","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.0916","0.0557","","","0.1289","0.1453","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546464","11.8766","0.0006","11.7308","0.0006","23.6382","0.0013","90","","90","","90","","3293.3","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H27 F2 N O Si -","- C13 H27 F2 N O Si -","- C104 H216 F16 N8 O8 Si8 -","8","1","","Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D.","Radical Silyldifluoromethylation of Electron-Deficient Alkenes.","Organic letters","2017","19","12","3215","3218","10.1021/acs.orglett.7b01334","","","0.71073","MoKα","","0.0537","0.0396","","","0.092","0.1025","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546465","9.2873","0.0004","11.4628","0.0004","9.2961","0.0004","90","","98.91","0.001","90","","977.71","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O6 -","- C20 H20 Br N O6 -","- C40 H40 Br2 N2 O12 -","2","1","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.0331","0.029","","","0.0705","0.0725","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546466","9.4224","0.0017","16.987","0.003","18.8","0.004","90","","90","","90","","3009.1","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O3 S -","- C40 H29 N O3 S -","- C160 H116 N4 O12 S4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0939","0.0569","","","0.1085","0.1365","","","","","","0.922","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546467","9.212","0.003","14.231","0.005","13.496","0.004","90","","91.5","0.03","90","","1768.7","1","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O -","- C26 H19 O -","- C104 H76 O4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0874","0.0738","","","0.1817","0.1944","","","","","","1.081","","","","has coordinates","198407","2020-10-21","18:00:00",""
"1546468","7.623","0.0006","10.7719","0.0007","11.87","0.0009","97.78","0.006","97.592","0.006","100.123","0.006","938.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 O4 S -","- C21 H18 O4 S -","- C42 H36 O8 S2 -","2","1","","Lou, Jiang; Wang, Quannan; Wu, Kaikai; Wu, Ping; Yu, Zhengkun","Iron-Catalyzed Oxidative C-H Functionalization of Internal Olefins for the Synthesis of Tetrasubstituted Furans.","Organic letters","2017","19","12","3287","3290","10.1021/acs.orglett.7b01431","","","0.71073","MoKα","","0.0683","0.0451","","","0.1045","0.1207","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546469","22.032","0.004","6.0534","0.001","22.854","0.004","90","","104.357","0.004","90","","2952.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O3 -","- C17 H18 B N O3 -","- C136 H144 B8 N8 O24 -","8","2","","Meadows, Margaret K.; Roesner, Emily K.; Lynch, Vincent M.; James, Tony D.; Anslyn, Eric V.","Boronic Acid Mediated Coupling of Catechols and N-Hydroxylamines: A Bioorthogonal Reaction to Label Peptides.","Organic letters","2017","19","12","3179","3182","10.1021/acs.orglett.7b01198","","","0.71073","MoKα","","0.0627","0.0486","","","0.1127","0.1195","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546470","11.113","0.004","4.9271","0.0018","13.773","0.005","90","","101.305","0.012","90","","739.5","0.5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 O -","- C24 H14 O -","- C48 H28 O2 -","2","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","","1.54187","CuKα","","0.1561","0.1172","","","0.3206","0.4226","","","","","","1.395","","","","has coordinates","198410","2020-10-21","18:00:00",""
"1546471","8.423","0.005","20.457","0.01","28.733","0.015","90","","91.783","0.017","90","","4949","5","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 N3 O -","- C33 H17 N3 O -","- C264 H136 N24 O8 -","8","1","","Wang, Ya-Kun; Wu, Sheng-Fan; Yuan, Yi; Li, Si-Hua; Fung, Man-Keung; Liao, Liang-Sheng; Jiang, Zuo-Quan","Donor-σ-Acceptor Molecules for Green Thermally Activated Delayed Fluorescence by Spatially Approaching Spiro Conformation.","Organic letters","2017","19","12","3155","3158","10.1021/acs.orglett.7b01281","","","0.71073","MoKα","","0.1675","0.0757","","","0.1805","0.2232","","","","","","0.971","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546472","9.4913","0.0006","16.766","0.0011","10.7446","0.0007","90","","109.854","0.007","90","","1608.17","0.19","294.78","0.1","294.78","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Cl2 N O4 S -","- C32 H37 Cl2 N O4 S -","- C64 H74 Cl4 N2 O8 S2 -","2","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.71073","MoKα","","0.069","0.0531","","","0.1188","0.1352","","","","","","1.052","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546473","10.1261","0.0004","11.271","0.0007","19.4856","0.0011","90","","90","","90","","2223.9","0.2","254","9","254","9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.7107","MoKα","","0.1243","0.0661","","","0.1194","0.15","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546474","6.24343","0.00013","16.3321","0.0003","20.2668","0.0004","90","","90","","90","","2066.57","0.07","293.42","0.1","293.42","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Yang, Yu-Jie; Ji, Yuanyuan; Qi, Liangliang; Wang, Guanjun; Hui, Xin-Ping","Asymmetric Synthesis of Cyclopenta[3,4]pyrroloindolones via N-Heterocyclic Carbene-Catalyzed Michael/Aldol/Lactamization Cascade Reaction.","Organic letters","2017","19","12","3271","3274","10.1021/acs.orglett.7b01411","","x-ray","1.54184","CuKα","","0.0431","0.0378","","","0.0919","0.0961","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546484","10.443","0.008","12.603","0.011","17.396","0.016","110.9","0.02","98.5","0.02","90.185","0.019","2112","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide + 3MeO benzoic acid From MeCN","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C88 H88 N8 O28 -","4","2","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1252","0.0657","","","0.1658","0.207","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546485","5.222","0.004","8.817","0.007","14.578","0.011","101.606","0.018","94.434","0.016","94.826","0.018","652.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","7H Benzamide + 3-Fluorobenzoic Acid","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C28 H24 F2 N2 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.182","0.0716","","","0.1504","0.2046","","","","","","0.974","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546486","11.012","0.002","4.0528","0.0008","32.335","0.006","90","","94.648","0.004","90","","1438.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","44'Bipyridyl + 2-Fluorobenzoic acid cocrystal","4,4'-Bipyridyl 2-Fluorobenzoic Acid","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0835","0.0589","","","0.1823","0.2075","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546487","8.084","0.004","12.756","0.006","9.49","0.004","90","","93.543","0.012","90","","976.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Urea and 2-Nitrobenzoic Acid","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C32 H36 N12 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1156","0.0712","","","0.176","0.2452","","","","","","0.997","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546488","10.878","0.003","12.704","0.004","15.328","0.005","90","","107.034","0.009","90","","2025.3","1.1","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide + mToluic Acid from EtOH","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1629","0.0672","","","0.1559","0.2008","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546489","27.715","0.003","7.0371","0.0007","21.947","0.002","90","","105.132","0.004","90","","4132","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Nicotinamide + 2Nitrobenzoic Acid from MeCN","","","- C20 H16 N4 O9 -","- C20 H16 N4 O9 -","- C160 H128 N32 O72 -","8","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0539","0.0401","","","0.0994","0.1092","","","","","","1.019","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546491","11.8242","0.0018","10.035","0.0015","15.06","0.002","90","","104.953","0.002","90","","1726.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Urea + 2Nitrobenzoic Acid from MecN","","","- C15 H14 N4 O9 -","- C15 H14 N4 O9 -","- C60 H56 N16 O36 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0464","0.0366","","","0.0933","0.1012","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546492","13.629","0.016","7.151","0.008","13.651","0.015","90","","115.649","0.017","90","","1199","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide 4-Fluorobenzoic Acid Cocrystal","Nicotinamide 4-Fluorobenzoic Acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C52 H44 F4 N8 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0609","0.0392","","","0.1015","0.1135","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546493","7.988","0.003","11.004","0.005","12.725","0.006","73.939","0.01","75.605","0.01","89.042","0.011","1039.5","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","7A Benzamide + 2-Nitrobenzoic Acid","Benzamide 2-nitrobenzoic acid","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C42 H34 N6 O18 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1601","0.0657","","","0.1747","0.2499","","","","","","0.909","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546494","7.1167","0.0005","7.559","0.0005","12.8081","0.0009","85.164","0.002","75.933","0.002","85.895","0.002","665.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Nicotinamide + 2Nitrobenzoic Acid","Nicotinamide 2-Nitrobenzoic Acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0556","0.0397","","","0.1046","0.1159","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546495","8.873","0.002","34.245","0.008","9.175","0.002","90","","105.942","0.008","90","","2680.7","1.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Nitrobenzoic Acid + Isonicotinamide","","","- C26 H22 N6 O10 -","- C26 H22 N6 O10 -","- C104 H88 N24 O40 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0661","0.0469","","","0.1235","0.1394","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546496","12.516","0.005","10.899","0.004","9.306","0.003","90","","95.296","0.012","90","","1264","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isonicotinamide + 2-Aminobenzoic Acid","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1847","0.0853","","","0.1978","0.2536","","","","","","1.015","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546501","6.6243","0.0003","8.5016","0.0005","10.8522","0.0007","83.908","0.005","86.04","0.005","82.465","0.005","601.52","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C28 H20 Br2 N2 O2 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions.","Organic letters","2017","19","14","3887","3890","10.1021/acs.orglett.7b01775","","x-ray","0.71073","MoKα","","0.0309","0.0255","","","0.0567","0.0582","","","","","","1.043","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546522","9.7785","0.0007","24.6674","0.0017","11.7616","0.0008","90","","112.19","0.002","90","","2626.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 N2 O2 -","- C31 H26 Br2 N2 O2 -","- C124 H104 Br8 N8 O8 -","4","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0607","0.0374","","","0.0723","0.08","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546524","9.1369","0.0002","9.5857","0.0003","11.5538","0.0003","81.1656","0.0012","75.102","0.0011","71.2285","0.0011","923.11","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0699","0.0604","","","0.1697","0.1814","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546527","39.283","0.005","7.0114","0.0009","7.3524","0.0009","90","","94.433","0.002","90","","2019","0.4","297","2","297","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O7.5 -","- C20 H32 O7.5 -","- C80 H128 O30 -","4","1","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0639","0.0602","","","0.1627","0.164","","","","","","1.013","","","","has coordinates,has disorder","200756","2020-10-21","18:00:00",""
"1546529","9.3234","0.0009","9.9427","0.001","13.0102","0.0013","78.305","0.003","78.596","0.003","73.067","0.003","1117.35","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","N,N-Dibenzyl-1,2-dimethyl-5-tosyl-1H-imidazol-4-amine","","- C26 H27 N3 O2 S -","- C26 H27 N3 O2 S -","- C52 H54 N6 O4 S2 -","2","1","","Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno","Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.","Organic letters","2017","19","14","3815","3818","10.1021/acs.orglett.7b01678","","","1.54178","CuKα","","0.0375","0.0365","","","0.0939","0.0947","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546544","14.5554","0.0003","7.8349","0.0001","15.1967","0.0003","90","","98.883","0.002","90","","1712.25","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0544","0.0443","","","0.1197","0.1293","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546545","9.596","0.003","29.048","0.01","7.218","0.003","90","","108.926","0.013","90","","1903.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","0.71073","MoKα","","0.1053","0.0692","","","0.1972","0.2309","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546546","12.1959","0.0004","6.6152","0.0002","19.9552","0.0007","90","","91.621","0.003","90","","1609.31","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O2 -","- C19 H12 F3 N O2 -","- C76 H48 F12 N4 O8 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0864","0.0497","","","0.1327","0.1721","","","","","","0.857","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546547","5.5334","0.0001","43.1272","0.001","9.0409","0.0002","90","","97.636","0.002","90","","2138.39","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C96 H60 F24 N4 O16 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0812","0.0599","","","0.1548","0.1738","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546548","11.1451","0.0016","15.552","0.002","6.9737","0.001","90","","98.57","0.002","90","","1195.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","","Yang, Yuan; Yu, Jiang-Xi; Ouyang, Xuan-Hui; Li, Jin-Heng","Complex Annulations through Silver Carbenoid Intermediate: An Alternative Entry to Transformations of 1,2,3-Triazoles.","Organic letters","2017","19","15","3982","3985","10.1021/acs.orglett.7b01682","","","0.71073","MoKα","","0.075","0.0687","","","0.2132","0.2244","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546549","7.9367","0.0005","11.4018","0.0005","16.9261","0.0008","90","","90","","90","","1531.69","0.14","294.06","0.1","294.06","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun","Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria.","Organic letters","2017","19","15","3998","4001","10.1021/acs.orglett.7b01723","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.0894","0.109","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546559","20.1291","0.0004","36.079","0.003","5.9649","0.0001","90","","90","","90","","4331.9","0.4","85","2","85","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0277","0.0276","","","0.0685","0.0686","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546591","17.429","0.011","12.471","0.008","13.016","0.008","90","","90","","90","","2829","3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.0914","0.0525","","","0.1326","0.1683","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546592","19.9133","0.0015","19.9133","0.0015","11.122","0.0009","90","","90","","90","","4410.3","0.6","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C192 H216 N24 O32 -","8","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","x-ray","0.71073","MoKα","","0.0424","0.0424","","","0.05","0.05","","","","1.03","1.03","1.03","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546594","8.6843","0.0001","14.2721","0.0002","17.1469","0.0003","90","","90","","90","","2125.24","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Wang, Bao-Cheng; Zhang, Mao-Mao; Gao, Xiao-Wen; Li, Tian-Ren; Lu, Liang-Qiu; Xiao, Wen-Jing","Hydrogen Bond Direction Enables Palladium-Catalyzed Branch- and Enantioselective Allylic Aminations and Beyond.","Organic letters","2017","19","15","4094","4097","10.1021/acs.orglett.7b01794","","","1.54178","CuKα","","0.0309","0.0308","","","0.0781","0.0782","","","","","","1.084","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546597","11.585","0.002","18.121","0.003","14.653","0.003","90","","99.339","0.003","90","","3035.4","1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N7 O10 S -","- C28 H33 N7 O10 S -","- C112 H132 N28 O40 S4 -","4","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0712","0.0678","","","0.1943","0.1972","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546601","12.864","0.0019","14.501","0.002","16.567","0.003","90","","90","","90","","3090.4","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0477","0.0345","","","0.0786","0.085","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546602","24.743","0.009","9.58","0.004","7.166","0.003","90","","100.81","0.008","90","","1668.5","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0951","0.0558","","","0.116","0.1529","","","","","","1.103","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546607","7.631","0.0004","8.0161","0.0004","16.2346","0.0009","90","","90","","90","","993.08","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C40 H36 F12 O12 -","4","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0292","0.0284","","","0.0724","0.0744","","","","","","1.1017","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546608","4.9314","0.0006","9.4371","0.0011","13.4664","0.0015","75.537","0.005","83.093","0.005","78.25","0.005","592.53","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 F6 O3 -","- C12 H8 F6 O3 -","- C24 H16 F12 O6 -","2","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0374","0.0316","","","0.0817","0.0852","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546609","18.38","0.007","28.155","0.011","8.802","0.003","90","","90","","90","","4555","3","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H25 B N3 O -","- C28 H25 B N3 O -","- C224 H200 B8 N24 O8 -","8","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","x-ray","0.71073","MoKα","","0.0942","0.0598","","","0.1653","0.1818","","","","","","1.087","","","","has coordinates","199589","2020-10-21","18:00:00",""
"1546610","8.0355","0.0018","10.362","0.002","15.234","0.003","90","","90","","90","","1268.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O S -","- C12 H19 N O S -","- C48 H76 N4 O4 S4 -","4","1","","Yu, Hui; Gao, Bao; Hu, Bin; Huang, Hanmin","Charge-Transfer Complex Promoted C-N Bond Activation for Ni-Catalyzed Carbonylation.","Organic letters","2017","19","13","3520","3523","10.1021/acs.orglett.7b01488","","","0.71073","MoKα","","0.0415","0.0389","","","0.1034","0.1054","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546615","6.6836","0.0014","27.722","0.006","27.939","0.006","90","","96.193","0.003","90","","5146.4","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Br6 N12 O6 -","- C42 H18 Br6 N12 O6 -","- C168 H72 Br24 N48 O24 -","4","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.0567","0.0515","","","0.1183","0.1211","","","","","","1.141","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546616","11.5361","0.0003","7.8544","0.0003","15.7254","0.0005","90","","93.296","0.003","90","","1422.51","0.08","120","0.1","120","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 Cl N5 O -","- C13 H16 Cl N5 O -","- C52 H64 Cl4 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","1.54184","CuKα","","0.0493","0.0421","","","0.111","0.1185","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546617","6.36858","0.0001","17.0054","0.0003","17.2914","0.0003","90","","90","","90","","1872.66","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.0877","0.0896","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546755","15.599","0.0003","18.69","0.0005","19.2605","0.0005","70.341","0.002","87.9","0.002","67.582","0.002","4861.2","0.2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H200 Br8 F8 N8 O16 -","- C248 H200 Br8 F8 N8 O16 -","- C248 H200 Br8 F8 N8 O16 -","1","0.5","","Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.","Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.","Organic letters","2017","19","16","4283","4286","10.1021/acs.orglett.7b01924","","","0.71073","MoKα","","0.0527","0.0389","","","0.0883","0.0958","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:51",""
"1546763","8.9382","0.0008","12.8773","0.0012","14.7873","0.0014","90.81","0.004","94.233","0.003","99.34","0.003","1674.3","0.3","123","","123","","","","","","","","P. Ravat","4","P -1","-P 1","2","","","","- C22 H10 Br2 F2 -","- C22 H10 Br2 F2 -","- C88 H40 Br8 F8 -","4","2","","Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal","Configurational Stability of [5]Helicenes.","Organic letters","2017","19","14","3707","3710","10.1021/acs.orglett.7b01461","","","1.54178","CuKα","","0.0617","0.0614","","0.1696","0.1695","0.1696","","","","","","1.0183","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546764","5.9869","0.0002","10.9322","0.0004","19.3709","0.0007","90","","90","","90","","1267.83","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 Se -","- C15 H14 O2 Se -","- C60 H56 O8 Se4 -","4","1","","Topinka, Michael; Zawatzky, Kerstin; Barnes, Charles L.; Welch, Christopher J.; Harmata, Michael","An Asymmetric, Catalytic (4 + 3) Cycloaddition Reaction of Cyclopentenyl Oxyallylic Cations.","Organic letters","2017","19","15","4106","4109","10.1021/acs.orglett.7b01868","","","0.71073","MoKα","","0.0421","0.0316","","","0.0526","0.0551","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546771","6.195","0.0019","9.868","0.003","13.376","0.004","77.035","0.017","85.51","0.03","89.77","0.03","794.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O2 S -","- C17 H13 F3 O2 S -","- C34 H26 F6 O4 S2 -","2","1","","Sonehara, Taro; Murakami, Shogo; Yamazaki, Sae; Kawatsura, Motoi","Iron-Catalyzed Intermolecular Hydrothiolation of Internal Alkynes with Thiosalicylic Acids, and Sequential Intramolecular Cyclization Reaction.","Organic letters","2017","19","16","4299","4302","10.1021/acs.orglett.7b01953","","","0.71075","MoKα","","","0.0484","","","","0.1478","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546789","11.8877","0.0002","24.3685","0.0004","11.9282","0.0002","90","","115.568","0.001","90","","3117.05","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H41 B2 N -","- C40 H41 B2 N -","- C160 H164 B8 N4 -","4","2","","Fingerle, Michael; Maichle-Mössmer, Cäcilia; Schundelmeier, Simon; Speiser, Bernd; Bettinger, Holger F.","Synthesis and Characterization of a Boron-Nitrogen-Boron Zigzag-Edged Benzo[fg]tetracene Motif.","Organic letters","2017","19","17","4428","4431","10.1021/acs.orglett.7b01873","","","0.71073","MoKα","","0.0521","0.0428","","","0.0995","0.1046","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546790","9.98","0.0003","10.4842","0.0003","19.301","0.0006","90","","103.22","0.003","90","","1965.99","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0451","0.0413","","","0.102","0.1056","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546792","6.0966","0.0016","8.7275","0.0019","11.867","0.004","98.93","0.02","102.72","0.03","107.148","0.017","571.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","","Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","N-Methylamino Pyrimidyl Amides (MAPA): Highly Reactive, Electronically-Activated Amides in Catalytic N-C(O) Cleavage.","Organic letters","2017","19","17","4656","4659","10.1021/acs.orglett.7b02288","","","1.54178","CuKα","","0.0332","0.0322","","","0.0835","0.0843","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546798","12.4154","0.0013","10.9297","0.0011","19.168","0.002","90","","100.793","0.002","90","","2555","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O6 S -","- C29 H28 N2 O6 S -","- C116 H112 N8 O24 S4 -","4","1","","Jia, Penghao; Zhang, Qinglong; Ou, Qima; Huang, You","Sequential [1 + 4]- and [2 + 3]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hexahydropyrrolo[3,2-b]indoles.","Organic letters","2017","19","17","4664","4667","10.1021/acs.orglett.7b02298","","","0.71073","MoKα","","0.0396","0.0338","","","0.0894","0.0926","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546799","12.9639","0.0005","12.9639","0.0005","14.8451","0.0006","90","","90","","120","","2160.65","0.15","150","2","150","2","","","","","","","","4","P 65","P 65","170","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C96 H126 N6 O18 -","6","1","","Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi","Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.","Organic letters","2017","19","17","4668","4671","10.1021/acs.orglett.7b02293","","","1.54178","CuKα","","0.0343","0.034","","","0.0864","0.0867","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546800","7.2478","0.0004","8.2707","0.0004","18.9058","0.001","90","","90","","90","","1133.3","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCGC00481329a","ncats02","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","","1.54178","CuKα","","0.0229","0.0229","","","0.0597","0.0598","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546801","7.4051","0.0006","8.6895","0.0008","11.7644","0.0011","90","","107.588","0.002","90","","721.61","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.027","0.0252","","","0.0587","0.0599","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546802","13.6026","0.0012","8.524","0.0008","14.8834","0.0014","90","","113.044","0.001","90","","1588","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N2 O4 -","- C16 H15 Br N2 O4 -","- C64 H60 Br4 N8 O16 -","4","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0437","0.034","","","0.0857","0.0909","","","","","","1.028","","","","has coordinates,has disorder","200730","2020-10-21","18:00:00",""
"1546810","14.084","0.006","14.084","0.006","39.7","0.03","90","","90","","90","","7875","8","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H17 Cl O1.5 P -","- C26 H17 Cl O1.5 P -","- C416 H272 Cl16 O24 P16 -","16","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.","Organic letters","2017","19","17","4512","4515","10.1021/acs.orglett.7b02071","","","0.71073","MoKα","","0.1048","0.0552","","","0.1326","0.149","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546821","9.4175","0.0005","17.1528","0.0009","28.9801","0.0016","79.223","0.003","89.723","0.004","82.329","0.003","4556.6","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H154 Br6 Cu N8 O5 -","- C80 H154 Br6 Cu N8 O5 -","- C160 H308 Br12 Cu2 N16 O10 -","2","1","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.1011","0.0919","","","0.2301","0.2348","","","","","","1.113","","","","has coordinates","210954","2020-10-21","18:00:00",""
"1546822","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","210324","2020-10-21","18:00:00",""
"1546833","11.8841","0.0012","15.7939","0.0017","24.186","0.003","90","","92.407","0.003","90","","4535.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C200 H192 N16 O24 S8 -","8","2","","Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping","Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.","Organic letters","2017","19","17","4520","4523","10.1021/acs.orglett.7b02096","","","0.71073","MoKα","","0.1231","0.0606","","","0.1263","0.1507","","","","","","0.982","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546843","8.233","0.0008","9.737","0.0008","10.4837","0.001","107.355","0.003","101.071","0.004","111.799","0.003","699.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0329","0.0282","","","0.0682","0.0707","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546845","8.0042","0.0002","11.5133","0.0003","17.4969","0.0005","90","","114.231","0.001","90","","1470.37","0.07","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 N4 Ni3 O16 -","- C28 H22 N4 Ni3 O16 -","- C56 H44 N8 Ni6 O32 -","2","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0797","0.0843","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546846","18.151","0.0009","11.5168","0.0005","15.9081","0.0008","90","","117.996","0.002","90","","2936.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Co3 N4 O16 -","- C28 H22 Co3 N4 O16 -","- C112 H88 Co12 N16 O64 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.066","0.0413","","","0.0885","0.0973","","","","","","1.008","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546847","26.783","0.003","10.9091","0.001","28.532","0.004","90","","145.631","0.006","90","","4706.1","1.2","103","4","103","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cd Cl2 N8 O9 -","- C32 H20 Cd Cl2 N8 O9 -","- C128 H80 Cd4 Cl8 N32 O36 -","4","0.5","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1372","0.1049","","","0.3075","0.3391","","","","","","1.173","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546850","9.5455","0.0004","13.8394","0.0006","17.274","0.0008","90","","102.492","0.004","90","","2227.94","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd Cl3 N6 O7 -","- C17 H11 Cd Cl3 N6 O7 -","- C68 H44 Cd4 Cl12 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0489","0.0341","","","0.0638","0.0714","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546851","17.3051","0.0005","8.1682","0.0002","12.9742","0.0004","90","","108.332","0.003","90","","1740.85","0.09","288.88","0.16","288.88","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd N6 O7 -","- C16 H10 Cd N6 O7 -","- C64 H40 Cd4 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0397","0.0293","","","0.0595","0.0663","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546949","13.599","0.002","14.523","0.002","15.318","0.002","90.915","0.004","105.079","0.004","92.619","0.003","2916.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H19 Cl6 F20 N4 O S4 Sb -","- C52 H19 Cl6 F20 N4 O S4 Sb -","- C104 H38 Cl12 F40 N8 O2 S8 Sb2 -","2","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.0446","0.0332","","","0.0816","0.0883","","","","","","1.026","","","","has coordinates,has disorder","201756","2020-10-21","18:00:00",""
"1546950","17.946","0.009","9.832","0.005","13.938","0.007","90","","111.169","0.009","90","","2293","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 O2 S -","- C30 H18 O2 S -","- C120 H72 O8 S4 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1788","0.0814","","","0.197","0.268","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546951","17.278","0.004","10.111","0.002","13.842","0.003","90","","109.626","0.006","90","","2277.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 O2 S2 -","- C30 H18 O2 S2 -","- C120 H72 O8 S8 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1439","0.0725","","","0.1921","0.2499","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546952","21.918","0.004","6.9184","0.0012","8.0372","0.0014","90","","90","","90","","1218.7","0.4","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H7 F3 O2 S -","- C13 H7 F3 O2 S -","- C52 H28 F12 O8 S4 -","4","0.5","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1027","0.0792","","","0.2175","0.2389","","","","","","1.085","","","","has coordinates,has disorder","201758","2020-10-21","18:00:00",""
"1546960","13.38","0.0019","8.1608","0.0011","15.983","0.002","90","","103.958","0.003","90","","1693.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I N2 O2 -","- C19 H15 I N2 O2 -","- C76 H60 I4 N8 O8 -","4","1","","Chen, Mu-Wang; Ji, Yue; Wang, Jie; Chen, Qing-An; Shi, Lei; Zhou, Yong-Gui","Asymmetric Hydrogenation of Isoquinolines and Pyridines Using Hydrogen Halide Generated in Situ as Activator.","Organic letters","2017","19","18","4988","4991","10.1021/acs.orglett.7b02502","","","0.71073","MoKα","","0.0364","0.0296","","","0.0703","0.074","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546961","6.8948","0.0004","18.337","0.0009","7.3727","0.0005","90","","109.637","0.005","90","","877.92","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0629","0.0439","","","0.0928","0.0952","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546962","19.0876","0.0009","6.1438","0.0004","8.6807","0.0004","90","","97.141","0.004","90","","1010.09","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0674","0.0537","","","0.1502","0.1805","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546963","21.9487","0.0009","6.873","0.0003","12.8765","0.0005","90","","91.458","0.003","90","","1941.84","0.14","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O -","- C13 H11 N O -","- C104 H88 N8 O8 -","8","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0502","0.0375","","","0.0862","0.0911","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546964","6.7038","0.0001","8.3662","0.0002","16.9526","0.0003","90","","93.198","0.001","90","","949.31","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Feng, Tao; Li, Xue-Mei; He, Jun; Ai, Hong-Lian; Chen, He-Ping; Li, Xiao-Nian; Li, Zheng-Hui; Liu, Ji-Kai","Nicotabin A, a Sesquiterpenoid Derivative from Nicotiana tabacum.","Organic letters","2017","19","19","5201","5203","10.1021/acs.orglett.7b02559","","","1.54178","CuKα","","0.0543","0.0541","","","0.1709","0.1714","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546965","6.0773","0.0002","14.9171","0.0006","21.7733","0.0008","90","","90","","90","","1973.87","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O4 -","- C23 H18 Br N O4 -","- C92 H72 Br4 N4 O16 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Enantioselective Vinylogous Allylic Alkylation of Coumarins.","Organic letters","2017","19","18","4944","4947","10.1021/acs.orglett.7b02421","","","0.71073","MoKα","","0.0171","0.0166","","","0.0429","0.0431","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546966","9.2255","0.0001","13.8573","0.0002","15.8051","0.0002","90","","101.43","","90","","1980.46","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C88 H104 N8 O16 -","2","1","","Yuan, Yu-Xi; Zhang, Yu; Guo, Ling-Li; Wang, Yue-Hu; Goto, Masuo; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Tabercorymines A and B, Two Vobasinyl-Ibogan-Type Bisindole Alkaloids from Tabernaemontana corymbosa.","Organic letters","2017","19","18","4964","4967","10.1021/acs.orglett.7b02445","","","1.54178","CuKα","","0.0326","0.0324","","","0.0858","0.0861","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546977","6.183","0.0007","11.5573","0.0013","17.814","0.002","90","","90","","90","","1273","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","","Zhou, Min; Ma, Hang-Ying; Xing, Huan-Huan; Li, Ping; Li, Gan-Peng; Geng, Hui-Chun; Hu, Qiu-Fen; Yang, Guang-Yu","Biomimetic Synthesis of Macahydantoins A and B from Lepidium meyenii, and Structure Revision of Macahydantoin B as a Class of Thiohydantoin with a 4-Methyl-hexahydropyrrolo[1,2-c]imidazole Skeleton.","Organic letters","2017","19","18","4952","4955","10.1021/acs.orglett.7b02433","","","0.71073","MoKα","","0.0832","0.0761","","","0.1882","0.1935","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546978","8.63","0.002","9.462","0.002","10.851","0.003","77.707","0.002","71.394","0.002","74.71","0.002","802","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F3 O3 -","- C18 H17 F3 O3 -","- C36 H34 F6 O6 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0501","0.0462","","","0.1204","0.1251","","","","","","1.123","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546979","10.5268","0.0011","14.1611","0.0015","15.3518","0.0016","90","","95.76","0.001","90","","2277","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl N2 O P Ru -","- C46 H70 Cl N2 O P Ru -","- C92 H140 Cl2 N4 O2 P2 Ru2 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0227","0.0216","","","0.0488","0.0493","","","","","","1.02","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546980","12.1942","0.0014","17.651","0.002","18.374","0.002","90","","103.235","0.001","90","","3849.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Cl N2 O P Ru -","- C40 H60 Cl N2 O P Ru -","- C160 H240 Cl4 N8 O4 P4 Ru4 -","4","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0415","0.0324","","","0.0742","0.0782","","","","","","1.022","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546992","19.2095","0.0011","8.4395","0.0005","27.5953","0.0012","90","","113.721","0.003","90","","4095.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C232 H160 O16 -","8","2","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0687","0.0428","","","0.1109","0.1223","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546993","10.697","0.007","9.083","0.006","35.93","0.02","90","","90","","90","","3491","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0551","0.0401","","","0.0956","0.1051","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1546994","9.6575","0.001","16.1093","0.0016","15.3346","0.0016","90","","103.579","0.002","90","","2319","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0541","0.0385","","","0.102","0.114","","","","","","1.001","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547005","10.9714","0.0009","16.4516","0.0014","15.508","0.0013","90","","97.083","0.001","90","","2777.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O8 S -","- C30 H28 N2 O8 S -","- C120 H112 N8 O32 S4 -","4","2","","Yue, Deng-Feng; Zhao, Jian-Qiang; Chen, Xiao-Zhen; Zhou, Yan; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Multiple Hydrogen-Bonding Bifunctional Thiourea-Catalyzed Asymmetric Dearomative [4 + 2] Annulation of 3-Nitroindoles: Highly Enantioselective Access to Hydrocarbazole Skeletons.","Organic letters","2017","19","17","4508","4511","10.1021/acs.orglett.7b02068","","","0.71073","MoKα","","0.032","0.0295","","","0.0804","0.0824","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547006","17.34103","0.00012","17.34103","0.00012","15.00551","0.0001","90","","90","","120","","3907.79","0.05","273","","273","","","","","","","","","6","P 65","P 65","170","","(S)-4-amino-2-(6-chloro-1-(3,3,4,4,4-pentafluorobutyl) -1H-indazol-3-yl)-5-methyl-5-phenyl-5,7-dihydro -6H-pyrrolo[2,3-d]pyrimidin-6-one","","- C24 H18 Cl F5 N6 O -","- C24 H18 Cl F5 N6 O -","- C144 H108 Cl6 F30 N36 O6 -","6","1","","Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha","Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.","Organic letters","2017","19","17","4448","4451","10.1021/acs.orglett.7b01930","","x-ray","1.5418","CuKα","","0.0313","0.0288","","","0.0757","0.0769","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547007","9.8273","0.0009","11.3792","0.0011","11.6772","0.0011","75.657","0.005","86.929","0.005","87.177","0.004","1262.4","0.2","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","2","","Li, Shuang; Zhang, Pengpeng; Li, Yuanhe; Lu, Shumin; Gong, Jianxian; Yang, Zhen","Diastereoselective Synthesis of Diquinanes and Triquinanes Bearing Vicinal Quaternary Carbon Stereocenters from Acyclic Allene-based Precursors via a Cascade Reaction.","Organic letters","2017","19","17","4416","4419","10.1021/acs.orglett.7b01733","","x-ray","1.54178","CuKα","","0.057","0.0433","","","0.0961","0.1039","","","","","","1.045","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547008","8.676","0.0008","10.2291","0.0011","15.0456","0.0019","88.703","0.008","82.757","0.007","70.564","0.006","1248.9","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O6 S -","- C26 H30 N2 O6 S -","- C52 H60 N4 O12 S2 -","2","1","","Jia, Penghao; Zhang, Qinglong; Ou, Qima; Huang, You","Sequential [1 + 4]- and [2 + 3]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hexahydropyrrolo[3,2-b]indoles.","Organic letters","2017","19","17","4664","4667","10.1021/acs.orglett.7b02298","","","0.71073","MoKα","","0.0363","0.032","","","0.1051","0.1143","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547009","8.727","0.0004","7.2341","0.0003","14.172","0.0006","90","","100.811","0.0017","90","","878.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","","Verho, Oscar; Maetani, Micah; Melillo, Bruno; Zoller, Jochen; Schreiber, Stuart L.","Stereospecific Palladium-Catalyzed C-H Arylation of Pyroglutamic Acid Derivatives at the C3 Position Enabled by 8-Aminoquinoline as a Directing Group.","Organic letters","2017","19","17","4424","4427","10.1021/acs.orglett.7b01776","","","1.54178","CuKα","","0.0261","0.0259","","","0.0681","0.0683","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547010","15.2424","0.0015","18.1764","0.0016","23.33","0.002","90","","90.142","0.001","90","","6463.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N O2 P -","- C33 H24 N O2 P -","- C264 H192 N8 O16 P8 -","8","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.","Organic letters","2017","19","17","4512","4515","10.1021/acs.orglett.7b02071","","","0.71073","MoKα","","0.1248","0.0628","","","0.1434","0.1554","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547011","35.217","0.0007","5.7717","0.0001","14.5002","0.0002","90","","101.811","0.002","90","","2884.94","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C144 H136 F8 N16 O8 -","8","2","","Jackl, Moritz K.; Legnani, Luca; Morandi, Bill; Bode, Jeffrey W.","Continuous Flow Synthesis of Morpholines and Oxazepanes with Silicon Amine Protocol (SLAP) Reagents and Lewis Acid Facilitated Photoredox Catalysis.","Organic letters","2017","19","17","4696","4699","10.1021/acs.orglett.7b02395","","x-ray","1.54184","CuKα","","0.039","0.035","","","0.0917","0.094","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547012","9.2809","0.0004","12.2308","0.0006","15.3442","0.0007","90","","105.217","0.002","90","","1680.7","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","LCM1-059P","sarpong92","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Pflueger, Jason J.; Morrill, Louis C.; deGruyter, Justine N; Perea, Melecio A.; Sarpong, Richmond","Magnesiate Addition/Ring-Expansion Strategy To Access the 6-7-6 Tricyclic Core of Hetisine-Type C20-Diterpenoid Alkaloids.","Organic letters","2017","19","17","4632","4635","10.1021/acs.orglett.7b02260","","","1.54178","CuKα","","0.0403","0.0361","","","0.0917","0.0955","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547013","8.4697","0.0016","9.1799","0.0017","11.529","0.002","80.283","0.004","85.841","0.004","80.636","0.004","870.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C46 H34 N2 O4 S2 -","2","1","","Fan, Xing; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles.","Organic letters","2017","19","17","4476","4479","10.1021/acs.orglett.7b01957","","","0.71073","MoKα","","0.0669","0.0526","","","0.1385","0.1505","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547014","25.017","0.004","5.7228","0.001","26.74","0.005","90","","117.639","0.003","90","","3391.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Fan, Xing; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles.","Organic letters","2017","19","17","4476","4479","10.1021/acs.orglett.7b01957","","","0.71073","MoKα","","0.0482","0.0411","","","0.1045","0.1097","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547015","13.878","0.004","19.159","0.005","7.189","0.002","90","","104.662","0.009","90","","1849.2","0.9","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 O4 S2 -","- C22 H18 O4 S2 -","- C88 H72 O16 S8 -","4","1","","Kawashima, Hitomi; Yanagi, Tomoyuki; Wu, Chien-Chi; Nogi, Keisuke; Yorimitsu, Hideki","Regioselective C-H Sulfanylation of Aryl Sulfoxides by Means of Pummerer-Type Activation.","Organic letters","2017","19","17","4552","4555","10.1021/acs.orglett.7b02147","","","1.54187","CuKα","","0.0289","0.0246","","","0.0584","0.0595","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547016","10.5503","0.0013","25.29","0.003","8.0177","0.001","90","","93.112","0.002","90","","2136.1","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","","0.71073","MoKα","","0.1256","0.0558","","","0.1282","0.1587","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547017","14.427","0.0004","6.42046","0.00013","17.0456","0.0005","90","","109.769","0.003","90","","1485.85","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0423","0.0394","","","0.1002","0.1027","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547018","11.7424","0.0006","8.2014","0.0004","17.3455","0.0008","90","","105.694","0.005","90","","1608.17","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0741","0.07","","","0.1981","0.1997","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547019","10.1183","0.0007","6.5997","0.0006","15.6889","0.0008","90","","96.969","0.006","90","","1039.93","0.13","294.44","0.1","294.44","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C40 H62 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","0.71073","MoKα","","0.1011","0.062","","","0.141","0.1714","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547020","7.3804","0.0017","9.68","0.002","16.898","0.004","87.64","0.02","86.23","0.02","89.091","0.019","1203.5","0.5","290.92","0.1","290.92","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","2","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.1574","0.0652","","","0.1866","0.2182","","","","","","0.912","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547021","7.0462","0.0003","14.9347","0.0009","16.4046","0.001","90","","90","","90","","1726.3","0.17","290.92","0.1","290.92","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0955","0.0629","","","0.1279","0.1519","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547022","9.2948","0.0005","11.2533","0.0007","11.0889","0.0007","90","","95.716","0.006","90","","1154.1","0.12","290.92","0.1","290.92","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0595","0.0436","","","0.0923","0.1056","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547023","9.80751","0.00015","6.84454","0.00011","11.263","0.0002","90","","105.833","0.0018","90","","727.38","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0702","0.0704","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547024","10.9576","0.0003","10.9859","0.0003","13.5339","0.0005","99.194","0.003","98.907","0.003","102.923","0.002","1536.48","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","4","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.069","0.0683","","","0.1722","0.1736","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547025","8.5856","0.0005","26.6604","0.0015","9.0241","0.0006","90","","98.396","0.002","90","","2043.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 O2 S -","- C23 H21 F N2 O2 S -","- C92 H84 F4 N8 O8 S4 -","4","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.1244","0.0659","","","0.1033","0.1314","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547026","28.1291","0.0017","11.3338","0.0005","14.8299","0.0008","90","","91.255","0.005","90","","4726.8","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.0659","0.0464","","","0.1258","0.1369","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547027","6.8692","0.0007","7.4511","0.0009","15.6394","0.0018","85.058","0.009","80.243","0.009","68.404","0.01","733.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C32 H28 N4 O6 S2 -","2","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.1054","0.0688","","","0.1627","0.1969","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547028","7.467","0.003","9.477","0.005","14.485","0.005","90","","97.593","0.008","90","","1016","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C44 H54 N2 O12 -","2","1","","Liu, Xin; Hu, Ya-Jian; Chen, Bo; Min, Long; Peng, Xiao-Shui; Zhao, Jing; Li, Shaoping; Wong, Henry N. C.; Li, Chuang-Chuang","Asymmetric Total Syntheses of Colchicine, β-Lumicolchicine, and Allocolchicinoid N-Acetylcolchinol-O-methyl Ether (NCME).","Organic letters","2017","19","17","4612","4615","10.1021/acs.orglett.7b02224","","","1.54178","CuKα","","0.0931","0.0709","","","0.1877","0.2555","","","","","","1.158","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547029","10.3221","0.0013","12.3513","0.001","12.897","0.0019","69.442","0.011","80.911","0.012","66.205","0.01","1408.4","0.3","292","0.3","292","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 O2 S -","- C32 H38 N2 O2 S -","- C64 H76 N4 O4 S2 -","2","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.1056","0.061","","","0.1194","0.1511","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547030","14.3783","0.0011","16.669","0.0009","14.5602","0.0008","90","","109.563","0.008","90","","3288.2","0.4","287.76","0.1","287.76","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O2 S -","- C39 H38 N2 O2 S -","- C156 H152 N8 O8 S4 -","4","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.1018","0.0596","","","0.1433","0.1841","","","","","","0.942","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547031","9.4795","0.001","11.0883","0.0012","13.0819","0.0014","91.695","0.002","97.717","0.002","104.408","0.002","1316.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O2 S -","- C31 H30 N2 O2 S -","- C62 H60 N4 O4 S2 -","2","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.0709","0.0595","","","0.1419","0.1506","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547032","5.6185","0.0006","22.7525","0.0018","10.3579","0.0007","90","","99.399","0.008","90","","1306.3","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Lv, Ningning; Liu, Yue; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong","Cobalt-Catalyzed Oxidant-Free Spirocycle Synthesis by Liberation of Hydrogen.","Organic letters","2017","19","17","4640","4643","10.1021/acs.orglett.7b02266","","","0.71073","MoKα","","0.1127","0.071","","","0.1713","0.2065","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547033","14.4398","0.0005","8.7058","0.0003","23.2532","0.0007","90","","90","","90","","2923.16","0.17","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 O4 -","- C16 H21 O4 -","- C128 H168 O32 -","8","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","1.54178","CuKα","","0.0413","0.0391","","","0.1191","0.1223","","","","","","0.984","","","","has coordinates","200542","2020-10-21","18:00:00",""
"1547034","8.4594","0.0019","9.84","0.002","17.995","0.003","90","","94.074","0.019","90","","1494.1","0.5","271","13","271","13","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.199","0.0744","","","0.1026","0.1475","","","","","","0.978","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547035","10.7343","0.0009","13.3055","0.0008","11.7856","0.0011","90","","114.177","0.01","90","","1535.6","0.2","292.53","0.1","292.53","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.1323","0.0616","","","0.1209","0.1612","","","","","","1.003","","","","has coordinates,has disorder","200544","2020-10-21","18:00:00",""
"1547036","12.6657","0.0005","13.8437","0.0007","19.3886","0.0009","101.972","0.004","99.482","0.004","91.091","0.004","3275.2","0.3","292.7","0.6","292.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C30 H49 N O6 S Si -","- C30 H49 N O6 S Si -","- C120 H196 N4 O24 S4 Si4 -","4","2","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.1942","0.0889","","","0.2195","0.3035","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547037","8.1649","0.0012","10.7552","0.0016","14.048","0.002","88.09","0.002","84.286","0.002","69.323","0.002","1148.4","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N4 O3 -","- C28 H22 N4 O3 -","- C56 H44 N8 O6 -","2","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, An-Xin","Iodine-Catalyzed Oxidative Coupling To Construct C-O Bonds for the Synthesis of 2,3-Dihydrooxepines.","Organic letters","2017","19","17","4584","4587","10.1021/acs.orglett.7b02182","","","0.71073","MoKα","","0.0523","0.0426","","","0.1297","0.144","","","","","","1.064","","","","has coordinates","200546","2020-10-21","18:00:00",""
"1547038","7.4273","0.0012","13.435","0.002","21.998","0.004","90","","90.029","0.003","90","","2195.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N4 O3 -","- C28 H20 N4 O3 -","- C112 H80 N16 O12 -","4","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, An-Xin","Iodine-Catalyzed Oxidative Coupling To Construct C-O Bonds for the Synthesis of 2,3-Dihydrooxepines.","Organic letters","2017","19","17","4584","4587","10.1021/acs.orglett.7b02182","","","0.71073","MoKα","","0.0597","0.0408","","","0.1114","0.1314","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547039","22.9505","0.0014","10.6788","0.0008","37.929","0.003","90","","95.625","0.017","90","","9251","1.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pillar[5]arene","C-allyl-monohydroxy-nonamethoxy-pillar[5]arene","","- C51.5 H61 O11.5 -","- C51.5 H61 O11.5 -","- C412 H488 O92 -","8","1","","Bojtár, Márton; Simon, András; Bombicz, Petra; Bitter, István","Expanding the Pillararene Chemistry: Synthesis and Application of a 10 + 1 Functionalized Pillar[5]arene.","Organic letters","2017","19","17","4528","4531","10.1021/acs.orglett.7b02092","","","0.71073","MoKα","","0.1722","0.086","","","0.2036","0.257","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547040","12.121","0.007","20.805","0.012","19.049","0.011","90","","93.774","0.008","90","","4793","5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ge-Sumanene","Ge-Sumanene","","- C24 H24 Ge3 -","- C24 H24 Ge3 -","- C192 H192 Ge24 -","8","2","","Zhou, Dandan; Gao, Ya; Liu, Bingxin; Tan, Qitao; Xu, Bin","Synthesis of Silicon and Germanium-Containing Heterosumanenes via Rhodium-Catalyzed Cyclodehydrogenation of Silicon/Germanium-Hydrogen and Carbon-Hydrogen Bonds.","Organic letters","2017","19","17","4628","4631","10.1021/acs.orglett.7b02254","","","0.71073","MoKα","","0.1099","0.0494","","","0.1091","0.1355","","","","","","0.939","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547041","7.2277","0.0003","7.3744","0.0003","21.3606","0.0008","90","","90","","90","","1138.52","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0312","0.0297","","","0.0751","0.0761","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547042","7.2604","0.0002","8.2772","0.0002","18.9206","0.0004","90","","90","","90","","1137.05","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0249","0.0234","","","0.057","0.0577","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547043","7.3612","0.0009","7.4951","0.0009","11.3569","0.0013","90","","96.832","0.003","90","","622.14","0.13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0209","0.02","","","0.0509","0.0515","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547044","8.1094","0.0002","8.6923","0.0002","33.1247","0.0007","90","","90","","90","","2334.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","1.54178","CuKα","K-L~3~","0.0501","0.0408","","","0.0944","0.0988","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547045","7.3777","0.0005","7.4315","0.0005","20.1273","0.0014","90","","90","","90","","1103.53","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0401","0.0345","","","0.0733","0.0753","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547046","7.4047","0.0004","8.7079","0.0005","11.7729","0.0006","90","","107.542","0.002","90","","723.81","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0264","0.026","","","0.0652","0.0655","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547047","8.1621","0.0002","8.6928","0.0003","33.1313","0.001","90","","90","","90","","2350.72","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0284","","","0.0625","0.0645","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547048","7.4095","0.0007","7.4183","0.0007","20.1227","0.0018","90","","90","","90","","1106.06","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.036","0.0301","","","0.0629","0.0656","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547049","7.2205","0.0006","7.3718","0.0005","21.3401","0.0015","90","","90","","90","","1135.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0265","","","0.0604","0.062","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547050","7.3539","0.0008","7.4949","0.0007","11.3571","0.0013","90","","96.835","0.003","90","","621.52","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0525","0.0532","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547051","9.5408","0.0001","16.3122","0.0001","18.8674","0.0002","90","","90","","90","","2936.36","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O8 -","- C33 H42 O8 -","- C132 H168 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0452","0.0441","","","0.1301","0.1339","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547052","9.434","0.0001","16.4028","0.0001","19.4128","0.0001","90","","90","","90","","3004.01","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O8 -","- C33 H44 O8 -","- C132 H176 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0373","0.0369","","","0.1004","0.1009","","","","","","1.045","","","","has coordinates,has disorder","200561","2020-10-21","18:00:00",""
"1547053","25.2209","0.0013","7.4847","0.0004","17.0575","0.0009","90","","119.615","0.001","90","","2799.3","0.3","304","2","304","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C104 H144 N16 O40 -","8","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0373","0.0336","","","0.0913","0.0952","","","","","","1.027","","","","has coordinates","200562","2020-10-21","18:00:00",""
"1547054","24.608","0.007","7.147","0.002","12.285","0.004","90","","90","","90","","2160.6","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.1098","0.0668","","","0.1537","0.1753","","","","","","1.016","","","","has coordinates","200563","2020-10-21","18:00:00",""
"1547055","7.536","0.0007","8.9321","0.0009","10.4173","0.001","103.152","0.001","95.411","0.001","90.804","0.001","679.32","0.11","305","2","305","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C26 H36 N4 O8 -","2","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0441","0.0416","","","0.1146","0.1173","","","","","","1.048","","","","has coordinates","200564","2020-10-21","18:00:00",""
"1547056","6.2449","0.0004","16.6852","0.0011","13.0222","0.0009","90","","92.659","0.001","90","","1355.42","0.16","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,5R*,6R*)-ethyl-5-methoxy-7,9-dioxobicyclo[4.2.1]nonane-1-carboxylate","","- C13 H18 O5 -","- C13 H18 O5 -","- C52 H72 O20 -","4","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0449","0.0382","","","0.1016","0.1069","","","","","","1.038","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547057","6.133","0.0019","10.094","0.003","20.181","0.006","90","","90","","90","","1249.3","0.7","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Mao, Runyu; Wu, Jie","N-Radical Initiated Aminosulfonylation of Unactivated C(sp(3))-H Bond through Insertion of Sulfur Dioxide.","Organic letters","2017","19","17","4472","4475","10.1021/acs.orglett.7b02010","","","0.71073","MoKα","","0.0453","0.0374","","","0.1071","0.1153","","","","","","1.115","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547058","12.3024","0.0012","11.6242","0.0012","18.662","0.002","90","","101.576","0.002","90","","2614.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl4 N2 O4 S -","- C24 H18 Cl4 N2 O4 S -","- C96 H72 Cl16 N8 O16 S4 -","4","1","","Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping","Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.","Organic letters","2017","19","17","4520","4523","10.1021/acs.orglett.7b02096","","","0.71073","MoKα","","0.081","0.0572","","","0.1468","0.1636","","","","","","1.043","","","","has coordinates,has disorder","200567","2020-10-21","18:00:00",""
"1547059","6.5833","0.0014","9.956","0.002","24.64","0.005","90","","95.324","0.004","90","","1608","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","2","","Shi, Li-Min; Dong, Wu-Wei; Tao, Hai-Yan; Dong, Xiu-Qin; Wang, Chun-Jiang","Catalytic Asymmetric Desymmetrization of Cyclopentendiones via Diels-Alder Reaction of 3-Hydroxy-2-pyrones: Construction of Multifunctional Bridged Tricyclic Lactones.","Organic letters","2017","19","17","4532","4535","10.1021/acs.orglett.7b02107","","","0.71073","MoKα","","0.0552","0.0416","","","0.0879","0.0923","","","","","","0.985","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547060","5.2059","0.0009","10.5536","0.0018","16.861","0.003","99.88","0.002","95.519","0.002","92.866","0.002","906.3","0.3","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 Br O5 -","- C18 H23 Br O5 -","- C36 H46 Br2 O10 -","2","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.047","0.0388","","","0.0996","0.1037","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547061","12.2416","0.0009","15.1877","0.0011","7.6373","0.0006","90","","94.46","0.001","90","","1415.64","0.18","303","2","303","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0446","0.0364","","","0.0938","0.0998","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547062","15.6419","0.0012","23.9707","0.0018","7.8208","0.0006","90","","90","","90","","2932.4","0.4","301","2","301","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0379","0.0304","","","0.0772","0.081","","","","","","1.043","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547063","9.9278","0.0008","13.8213","0.0012","19.0453","0.0015","90","","90","","90","","2613.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N3 O4 -","- C32 H25 N3 O4 -","- C128 H100 N12 O16 -","4","1","","Mondal, Santigopal; Mukherjee, Subrata; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds.","Organic letters","2017","19","16","4367","4370","10.1021/acs.orglett.7b02085","","","1.54178","CuKα","","0.0339","0.0327","","","0.0834","0.0846","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547064","24.334","0.005","13.557","0.003","27.189","0.005","90","","90.828","0.003","90","","8969","3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102.5 H75.5 Cl12.75 N6 -","- C102.5 H75.5 Cl12.75 N6 -","- C410 H302 Cl51 N24 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","0.71075","MoKα","","0.2403","0.1257","","","0.2926","0.3692","","","","","","1.035","","","","has coordinates,has disorder","200575","2020-10-21","18:00:00",""
"1547065","12.217","0.004","20.357","0.005","22.761","0.006","74.897","0.011","85.716","0.014","85.813","0.013","5441","3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H138 N6 O6 -","- C132 H138 N6 O6 -","- C264 H276 N12 O12 -","2","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","0.71075","MoKα","","0.1942","0.1084","","","0.2325","0.2925","","","","","","1.044","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547066","16.3119","","24.2584","","46.9151","","90","","93.504","","90","","18529.6","","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C213.35 H122.46 B3 Cl0.88 F60 N6 O7 -","- C213.348 H123.348 B3 Cl0.884 F60 N6 O7 -","- C853.392 H493.392 B12 Cl3.536 F240 N24 O28 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","1.54187","CuKα","","0.1252","0.1125","","","0.3116","0.3219","","","","","","1.073","","","","has coordinates,has disorder","200578","2020-10-21","18:00:00",""
"1547067","30.1441","0.0007","16.1678","0.0004","21.0618","0.0005","90","","121.245","0.0009","90","","8775.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 F6 N2 O6 Pd2 -","- C38 H40 F6 N2 O6 Pd2 -","- C304 H320 F48 N16 O48 Pd16 -","8","1","","Maraswami, Manikantha; Pankajakshan, Sreekumar; Chen, Gang; Loh, Teck-Peng","Palladium-Catalyzed Direct C-H Trifluoroethylation of Aromatic Amides.","Organic letters","2017","19","16","4223","4226","10.1021/acs.orglett.7b01859","","","0.71073","MoKα","","0.0772","0.0405","","","0.0847","0.1059","","","","","","1.038","","","","has coordinates,has disorder","200580","2020-10-21","18:00:00",""
"1547068","9.04","0.004","6.791","0.003","19.479","0.008","90","","95.016","0.006","90","","1191.2","0.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O9 -","- C26 H25 N O9 -","- C52 H50 N2 O18 -","2","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.0549","0.0455","","","0.1146","0.1209","","","","","","1.056","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547069","6.3428","0.0017","21.435","0.006","25.73","0.007","90","","90","","90","","3498.2","1.7","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl3 N2 O8 -","- C38 H35 Cl3 N2 O8 -","- C152 H140 Cl12 N8 O32 -","4","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.1265","0.0534","","","0.0884","0.111","","","","","","1.001","","","","has coordinates","200583","2020-10-21","18:00:00",""
"1547070","8.6027","0.0008","14.6659","0.0009","14.8286","0.0009","82.014","0.005","77.654","0.006","76.926","0.006","1772.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O3 S -","- C21 H14 N2 O3 S -","- C84 H56 N8 O12 S4 -","4","2","","Lan, Jianyong; Xie, Haisheng; Lu, Xiaoxia; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Co(II)-Catalyzed Regioselective Cross-Dehydrogenative Coupling of Aryl C-H Bonds with Carboxylic Acids.","Organic letters","2017","19","16","4279","4282","10.1021/acs.orglett.7b01942","","","1.54184","CuKα","","0.0939","0.0856","","","0.2585","0.2724","","","","","","1.055","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547071","12.7416","0.0004","15.7164","0.0003","16.1249","0.0005","90","","90.844","0.003","90","","3228.69","0.16","293","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C144 H152 I8 N16 -","8","2","","Zhu, Dao-Yong; Fang, Lei; Han, Hui; Wang, Yazhou; Xia, Ji-Bao","Reductive CO2 Fixation via Tandem C-C and C-N Bond Formation: Synthesis of Spiro-indolepyrrolidines.","Organic letters","2017","19","16","4259","4262","10.1021/acs.orglett.7b01906","","x-ray","1.54184","CuKα","","0.0776","0.058","","","0.1681","0.2101","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547072","9.229","0.007","11.78","0.009","11.881","0.008","116.064","0.007","93.344","0.008","103.846","0.015","1106.6","1.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O3 -","- C29 H22 O3 -","- C58 H44 O6 -","2","1","","Sicignano, Marina; Dentoni Litta, Antonella; Schettini, Rosaria; De Riccardis, Francesco; Pierri, Giovanni; Tedesco, Consiglia; Izzo, Irene; Della Sala, Giorgio","Highly Diastereoselective Crown Ether Catalyzed Arylogous Michael Reaction of 3-Aryl Phthalides.","Organic letters","2017","19","16","4383","4386","10.1021/acs.orglett.7b02113","","","0.71073","MoKα","","0.108","0.0639","","","0.1482","0.1732","","","","","","0.991","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547073","11.5473","0.0019","11.75","0.002","18.402","0.003","78.259","0.009","74.402","0.008","88.332","0.01","2353.7","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","2","","Sicignano, Marina; Dentoni Litta, Antonella; Schettini, Rosaria; De Riccardis, Francesco; Pierri, Giovanni; Tedesco, Consiglia; Izzo, Irene; Della Sala, Giorgio","Highly Diastereoselective Crown Ether Catalyzed Arylogous Michael Reaction of 3-Aryl Phthalides.","Organic letters","2017","19","16","4383","4386","10.1021/acs.orglett.7b02113","","","0.71073","MoKα","","0.2038","0.0919","","","0.2173","0.2825","","","","","","0.955","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547074","37.0871","0.0009","18.9011","0.0004","13.1357","0.0003","90","","106.015","0.008","90","","8850.6","0.5","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 Br N2 O3 S -","- C21 H29 Br N2 O3 S -","- C336 H464 Br16 N32 O48 S16 -","16","2","","Abe, Takumi; Suzuki, Takuro; Anada, Masahiro; Matsunaga, Shigeki; Yamada, Koji","2-Hydroxyindoline-3-triethylammonium Bromide: A Reagent for Formal C3-Electrophilic Reactions of Indoles.","Organic letters","2017","19","16","4275","4278","10.1021/acs.orglett.7b01940","","","1.54187","CuKα","","0.0799","0.0618","","","0.1576","0.1673","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547075","8.1638","0.0008","14.323","0.0011","13.4195","0.001","90","","107.745","0.009","90","","1494.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.","Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.","Organic letters","2017","19","16","4283","4286","10.1021/acs.orglett.7b01924","","","0.71073","MoKα","","0.1191","0.065","","","0.1647","0.2394","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547076","12.9849","0.0003","18.5848","0.0006","26.1432","0.0007","90","","90","","90","","6308.9","0.3","123","","123","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C28 H54 B Fe N O2 P2 -","- C28 H54 B Fe N O2 P2 -","- C224 H432 B8 Fe8 N8 O16 P16 -","8","1","","Nakajima, Kazunari; Kato, Takeru; Nishibayashi, Yoshiaki","Hydroboration of Alkynes Catalyzed by Pyrrolide-Based PNP Pincer-Iron Complexes.","Organic letters","2017","19","16","4323","4326","10.1021/acs.orglett.7b01995","","","0.71075","MoKα","","0.1209","0.066","","","0.1408","0.152","","","","","","1","","","","has coordinates","200594","2020-10-21","18:00:00",""
"1547077","11.7456","0.0004","16.9831","0.0006","12.0924","0.0004","90","","94.193","0.001","90","","2405.7","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C120 H96 O24 -","4","2","","Zhang, Lan-Jun; Bi, De-Wen; Hu, Jiangmiao; Mu, Wei-Hua; Li, Yuan-Ping; Xia, Guang-Hui; Yang, Liu; Li, Xiao-Nian; Liang, Xue-Song; Wang, Li-Qin","Four Hybrid Flavan-Chalcones, Caesalpinnone A Possessing a 10,11-Dioxatricyclic [5.3.3.0(1,6)]Tridecane-Bridged System and Caesalpinflavans A-C from Caesalpinia enneaphylla.","Organic letters","2017","19","16","4315","4318","10.1021/acs.orglett.7b01955","","","1.54178","CuKα","","0.0625","0.0619","","","0.1571","0.1591","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547078","9.098","0.002","12.686","0.003","12.465","0.003","90","","104.57","0.003","90","","1392.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Geng, Xiao; Wu, Xia; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","Synergistic I2/Amine Promoted Povarov-Type Reaction for the Synthesis of 2-Acyl-3-aryl(alkyl)quinolines Using Aryl(alkyl)acetaldehydes as Alkene Surrogates.","Organic letters","2017","19","16","4179","4182","10.1021/acs.orglett.7b01686","","","0.71073","MoKα","","0.0518","0.042","","","0.114","0.1237","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547079","5.6401","0.0007","15.5044","0.0018","23.257","0.003","90","","90","","90","","2033.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AEW-II-133","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Li, Kangnan; Weber, Alexandria E.; Tseng, Luke; Malcolmson, Steven J.","Diastereoselective and Enantiospecific Synthesis of 1,3-Diamines via 2-Azaallyl Anion Benzylic Ring-Opening of Aziridines.","Organic letters","2017","19","16","4239","4242","10.1021/acs.orglett.7b01886","","","0.71073","MoKα","","0.0455","0.0381","","","0.0945","0.0988","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547080","11.401","0.003","9.001","0.002","17.228","0.005","90","","100.234","0.007","90","","1739.8","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","","Lvov, Andrey G.; Milevsky, Nikita A.; Yanina, Anna M.; Kachala, Vadim V.; Shirinian, Valerii Z.","Aerobic Dimerization of Ethyl 4-Thienyl-3-ketobutanoate toward a Modifiable Photochromic Diarylethene Precursor.","Organic letters","2017","19","16","4395","4398","10.1021/acs.orglett.7b02143","","","0.71073","MoKα","","0.0928","0.0599","","","0.1459","0.1641","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547081","8.8973","0.0005","10.3854","0.0006","10.5682","0.0005","113.149","0.002","92.819","0.002","112.907","0.002","803.17","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","2","","Bernar, Ivan; Fiser, Béla; Blanco-Ania, Daniel; Gómez-Bengoa, Enrique; Rutjes, Floris P. J. T.","Pd-Catalyzed Hydroamination of Alkoxyallenes with Azole Heterocycles: Examples and Mechanistic Proposal.","Organic letters","2017","19","16","4211","4214","10.1021/acs.orglett.7b01826","","","0.71073","MoKα","","0.0476","0.0429","","","0.1156","0.12","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547082","7.529","0.0005","8.7083","0.0006","29.448","0.002","90","","90","","90","","1930.8","0.2","291","0.2","291","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C96 H84 Cl4 N8 O4 -","4","1","","Wang, Kezhou; Wang, Linqing; Liu, Xihong; Li, Dan; Zhu, Haiyong; Wang, Pengxin; Liu, Yuyang; Yang, Dongxu; Wang, Rui","Development of Biligands Magnesium Catalysis in Asymmetric Conjugate Reactions of C3-Pyrrolyl-Oxindoles.","Organic letters","2017","19","16","4351","4354","10.1021/acs.orglett.7b02044","","","0.71073","MoKα","","0.0757","0.05","","","0.1015","0.1187","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547083","5.5929","0.0003","11.3901","0.0003","22.1102","0.0004","90","","93.835","0.003","90","","1405.35","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin","A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis.","Organic letters","2017","19","16","4359","4362","10.1021/acs.orglett.7b02066","","","1.54178","CuKα","","0.041","0.0389","","","0.1001","0.102","","","","","","1.035","","","","has coordinates","200601","2020-10-21","18:00:00",""
"1547084","7.8773","0.0003","7.9192","0.0003","10.3429","0.0003","87.686","0.001","89.889","0.001","85.028","0.001","642.26","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F3 N2 O2 -","- C13 H13 F3 N2 O2 -","- C26 H26 F6 N4 O4 -","2","1","","Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin","A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis.","Organic letters","2017","19","16","4359","4362","10.1021/acs.orglett.7b02066","","","1.54178","CuKα","","0.0664","0.065","","","0.1708","0.1718","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547085","20.8","0.005","13.066","0.003","16.207","0.004","90","","90","","90","","4404.6","1.8","173.15","","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H50 N2 O4 Si -","- C52 H50 N2 O4 Si -","- C208 H200 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.710747","MoKα","","0.1085","0.094","","","0.2299","0.2407","","","","","","1.105","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547086","28.533","0.008","6.3805","0.0018","21.155","0.006","90","","99.386","0.004","90","","3799.8","1.9","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 F14 N2 O4 Si2 -","- C40 H28 F14 N2 O4 Si2 -","- C160 H112 F56 N8 O16 Si8 -","4","0.5","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71075","MoKα","","0.0655","0.0601","","","0.1409","0.1447","","","","","","1.112","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547087","16.491","0.011","16.508","0.011","13.19","0.009","90","","102.583","0.013","90","","3505","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F14 N2 O4 Si -","- C36 H20 F14 N2 O4 Si -","- C144 H80 F56 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71073","MoKα","","0.1609","0.1319","","","0.2287","0.2451","","","","","","1.23","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547088","12.123","0.002","15.118","0.003","18.055","0.004","67.88","0.03","82.56","0.03","70.67","0.03","2892.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 N2 O4 Si2 -","- C70 H74 N2 O4 Si2 -","- C140 H148 N4 O8 Si4 -","2","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71073","MoKα","","0.1139","0.0959","","","0.2188","0.2309","","","","","","1.171","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547089","5.8603","0.0002","8.7507","0.0003","19.9834","0.0006","95.115","0.002","90.454","0.002","97.456","0.002","1011.87","0.06","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H25 N3 O7 S -","- C19 H25 N3 O7 S -","- C38 H50 N6 O14 S2 -","2","2","","Prasad, Sure Siva; Senthilkumar, Soundararasu; Srivastava, Akriti; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycosides and Divergent Synthesis of Bicyclic Iminosugars.","Organic letters","2017","19","16","4403","4406","10.1021/acs.orglett.7b02175","","","0.71073","MoKα","","0.0412","0.0377","","","0.0948","0.0976","","","","","","1.048","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547090","6.761","0.0015","7.2814","0.0016","13.336","0.003","78.215","0.008","85.488","0.008","72.757","0.007","613.7","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H10 Br Mn N2 O3 -","- C10 H10 Br Mn N2 O3 -","- C20 H20 Br2 Mn2 N4 O6 -","2","1","","Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste","Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.","Organic letters","2017","19","13","3656","3659","10.1021/acs.orglett.7b01657","","x-ray","0.71073","MoKα","","0.0449","0.0398","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","200608","2020-10-21","18:00:00",""
"1547091","12.2212","0.0012","13.1633","0.0013","12.165","0.0011","90","","89.91","0.005","90","","1957","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","3-alkylated indole","(S)-2-(2-methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","2","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.1198","0.0613","","","0.1561","0.2207","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547092","6.5332","0.0016","8.086","0.002","44.285","0.011","90","","90","","90","","2339.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br O7 -","- C25 H25 Br O7 -","- C100 H100 Br4 O28 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1343","0.0615","","","0.1176","0.1413","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547093","7.5","0.007","10.984","0.01","12.966","0.012","79.535","0.012","87.356","0.011","75.611","0.01","1017.4","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H22 N2 O7 -","- C21 H22 N2 O7 -","- C42 H44 N4 O14 -","2","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.1368","0.0722","","","0.1502","0.1833","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547094","7.2437","0.0012","15.956","0.003","15.979","0.003","93.5","0.004","95.99","0.004","100.034","0.004","1802.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 B N O5 Si -","- C36 H48 B N O5 Si -","- C72 H96 B2 N2 O10 Si2 -","2","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.1802","0.1021","","","0.2993","0.3626","","","","","","1.065","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547095","10.89","0.003","12.636","0.003","8.646","0.002","90","","94.343","0.003","90","","1186.3","0.5","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi","Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide.","Organic letters","2017","19","13","3422","3425","10.1021/acs.orglett.7b01378","","","0.71075","MoKα","","0.0247","0.0209","","","0.0574","0.0586","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547096","20.109","","20.109","","9.5683","0.0006","90","","90","","90","","3869.2","0.2","293","2","293.15","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","","","Li, Xuanxuan; Fang, Xinxin; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Photoredox Catalysis: Construction of Polyheterocycles via Alkoxycarbonylation/Addition/Cyclization Sequence.","Organic letters","2017","19","13","3580","3583","10.1021/acs.orglett.7b01553","","","1.54184","CuKα","","0.0552","0.0492","","","0.1486","0.1549","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547097","12.241","0.004","5.7694","0.0018","18.543","0.006","90","","101.136","0.008","90","","1284.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Chaudhari, Moreshwar B.; Sutar, Yogesh; Malpathak, Shreyas; Hazra, Anirban; Gnanaprakasam, Boopathy","Transition-Metal-Free C-H Hydroxylation of Carbonyl Compounds.","Organic letters","2017","19","13","3628","3631","10.1021/acs.orglett.7b01616","","","0.71073","MoKα","","0.1276","0.1097","","","0.382","0.3919","","","","","","1.175","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547098","27.948","0.003","10.781","0.0012","21.83","0.002","90","","124.025","0.001","90","","5451.4","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 F3 N2 O2 -","- C32 H25 F3 N2 O2 -","- C256 H200 F24 N16 O16 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0889","0.0616","","","0.1727","0.1963","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547099","11.6546","0.0013","6.183","0.0005","23.033","0.003","90","","100.63","0.006","90","","1631.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PD-VII-249","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0719","0.0569","","","0.1557","0.1676","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547100","16.0693","0.0016","54.037","0.005","10.9426","0.0011","90","","90","","90","","9501.9","1.6","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C400 H480 N32 O64 S16 -","16","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0358","0.032","","","0.0831","0.086","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547101","6.1106","0.0004","9.3146","0.0006","18.416","0.0011","90","","90","","90","","1048.2","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0413","0.04","","","0.1118","0.113","","","","","","1.301","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547102","9.8874","0.001","11.4556","0.0012","37.795","0.004","90","","90","","90","","4280.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B I N O5 -","- C19 H27 B I N O5 -","- C152 H216 B8 I8 N8 O40 -","8","2","","Chen, Lili; Zou, Xiaoliang; Zhao, Haonan; Xu, Senmiao","Copper-Catalyzed Asymmetric Protoboration of β-Amidoacrylonitriles and β-Amidoacrylate Esters: An Efficient Approach to Functionalized Chiral α-Amino Boronate Esters.","Organic letters","2017","19","13","3676","3679","10.1021/acs.orglett.7b01740","","","0.71073","MoKα","","0.0447","0.0428","","","0.1063","0.1076","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547103","7.742","0.0002","10.5041","0.0003","11.1422","0.0003","97.83","0.002","94.56","0.002","103.792","0.002","865.86","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 B N3 O2 -","- C18 H24 B N3 O2 -","- C36 H48 B2 N6 O4 -","2","1","","Allen, Thomas H.; Kawamoto, Takuji; Gardner, Sean; Geib, Steven J.; Curran, Dennis P.","N-Heterocyclic Carbene Boryl Iodides Catalyze Insertion Reactions of N-Heterocyclic Carbene Boranes and Diazoesters.","Organic letters","2017","19","13","3680","3683","10.1021/acs.orglett.7b01777","","","1.54178","CuKα","","0.0445","0.0407","","","0.1376","0.1418","","","","","","1.721","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547104","18.6435","0.0007","6.1999","0.0002","15.8122","0.0006","90","","90.137","0.003","90","","1827.69","0.11","290.64","0.1","290.64","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H26 Cl O3.5 -","- C19 H26 Cl O3.5 -","- C76 H104 Cl4 O14 -","4","1","","Luo, Weiwei; Lin, Lili; Zhang, Yu; Liu, Xiaohua; Feng, Xiaoming","Construction of Distant Stereocenters by Enantioselective Desymmetrizing Carbonyl-Ene Reaction.","Organic letters","2017","19","13","3374","3377","10.1021/acs.orglett.7b01329","","x-ray","1.54184","CuKα","","0.06","0.0572","","","0.1533","0.1587","","","","","","1.074","","","","has coordinates","200623","2020-10-21","18:00:00",""
"1547105","9.3681","0.0003","9.682","0.0003","23.6969","0.0007","90","","90","","90","","2149.35","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Tian, Hua; Zhang, Pengxiang; Peng, Fei; Yang, Haijun; Fu, Hua","Chiral Cyclic Ligand-Enabled Iridium-Catalyzed Asymmetric Arylation of Unactivated Racemic Allylic Alcohols with Anilines.","Organic letters","2017","19","14","3775","3778","10.1021/acs.orglett.7b01631","","","1.54178","CuKα","","0.0326","0.0303","","","0.0785","0.0797","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547106","10.796","","11.834","","19.55","","90","","97.95","","90","","2473.7","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S2 -","- C26 H25 N O5 S2 -","- C104 H100 N4 O20 S8 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qiao; Wang, Yimin; Yang, Shengbiao; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Imidovinylation of Alkynes via 1,3-Vinyl Migration.","Organic letters","2017","19","14","3767","3770","10.1021/acs.orglett.7b01599","","","0.71073","MoKα","","0.0724","0.0497","","","0.1285","0.1439","","","","","","0.876","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547107","7.805","0.0003","11.0195","0.0004","21.568","0.0007","90","","93.907","0.001","90","","1850.69","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0363","0.0349","","","0.0976","0.099","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547108","8.6611","0.0005","11.0315","0.0006","24.1732","0.0012","90","","98.964","0.005","90","","2281.4","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 O5 S2 -","- C23 H22 N4 O5 S2 -","- C92 H88 N16 O20 S8 -","4","1","","Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng","Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles.","Organic letters","2017","19","14","3859","3862","10.1021/acs.orglett.7b01729","","","0.71073","MoKα","","0.0754","0.0501","","","0.1192","0.1375","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547109","9.7392","0.0008","10.1552","0.0008","10.2805","0.0008","100.715","0.007","102.225","0.007","114.844","0.008","857.35","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C34 H36 N8 O4 S2 -","2","1","","Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng","Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles.","Organic letters","2017","19","14","3859","3862","10.1021/acs.orglett.7b01729","","","0.71073","MoKα","","0.0883","0.0585","","","0.1417","0.169","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547110","10.3276","0.0003","8.421","0.0003","13.1353","0.0004","90","","95.4153","0.0015","90","","1137.26","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O5 -","- C23 H31 N O5 -","- C46 H62 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0586","0.0433","","","0.0982","0.1074","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547111","9.9071","0.0004","12.2529","0.0005","13.6988","0.0006","98.655","0.001","110.948","0.001","98.93","0.001","1495.45","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 Br N2 O4 -","- C34 H31 Br N2 O4 -","- C68 H62 Br2 N4 O8 -","2","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0543","0.0367","","","0.0799","0.0907","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547112","12.1984","0.0004","10.6577","0.0004","23.0168","0.0008","90","","102.007","0.001","90","","2926.88","0.18","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H31 Br N2 O4 -","- C34 H31 Br N2 O4 -","- C136 H124 Br4 N8 O16 -","4","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0611","0.0427","","","0.104","0.1147","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547113","11.9227","0.0017","12.587","0.002","17.743","0.002","104.756","0.004","102.056","0.004","106.028","0.004","2360.5","0.6","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 O20 -","- C50 H60 O20 -","- C100 H120 O40 -","2","1","","Zafrani, Yossi; Cohen, Yoram","Calix[4, 5]tetrolarenes: A New Family of Macrocycles.","Organic letters","2017","19","14","3719","3722","10.1021/acs.orglett.7b01511","","","0.71073","MoKα","","0.1164","0.0679","","","0.1661","0.1942","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547114","12.1454","0.0005","7.1266","0.0002","15.9769","0.0006","90","","97.206","0.003","90","","1371.96","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(indolin-1-yl)-2-methyl-4-phenyloxazole","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno","Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.","Organic letters","2017","19","14","3815","3818","10.1021/acs.orglett.7b01678","","x-ray","1.54178","CuKα","","0.0515","0.0385","","","0.087","0.0923","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547115","8.2009","0.0004","17.7433","0.0007","18.2546","0.0007","90","","90","","90","","2656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","","Wang, Li; Yang, Jing; Kong, Ling-Mei; Deng, Jun; Xiong, Zijun; Huang, Jianping; Luo, Jianying; Yan, Yijun; Hu, Yikao; Li, Xiao-Nian; Li, Yan; Zhao, Yong; Huang, Sheng-Xiong","Natural and Semisynthetic Tigliane Diterpenoids with New Carbon Skeletons from Euphorbia dracunculoides as a Wnt Signaling Pathway Inhibitor.","Organic letters","2017","19","14","3911","3914","10.1021/acs.orglett.7b01813","","","1.54178","CuKα","","0.165","0.1305","","","0.3415","0.388","","","","","","1.426","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547116","9.1962","0.0005","10.3604","0.0006","10.8251","0.0006","66.281","0.002","78.926","0.002","66.979","0.002","868.32","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem134_0m_a","","","- C19 H20 Cl N3 O -","- C19 H20 Cl N3 O -","- C38 H40 Cl2 N6 O2 -","2","1","","Mondal, Susmita; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Aminomethylation of Imidazoheterocycles with Morpholine.","Organic letters","2017","19","14","3751","3754","10.1021/acs.orglett.7b01594","","","0.71073","MoKα","","0.0769","0.0583","","","0.1658","0.1969","","","","","","1.181","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547117","7.7258","0.0006","26.4404","0.0019","15.2454","0.0012","90","","95.607","0.002","90","","3099.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Br Co F6 N O Sb -","- C31 H35 Br Co F6 N2 O Sb -","- C124 H140 Br4 Co4 F24 N8 O4 Sb4 -","4","1","","Sen, Malay; Dahiya, Pardeep; Premkumar, J. Richard; Sundararaju, Basker","Dehydrative Cp*Co(III)-Catalyzed C-H Bond Allenylation.","Organic letters","2017","19","14","3699","3702","10.1021/acs.orglett.7b01415","","","0.71073","MoKα","","0.0617","0.0431","","","0.098","0.1044","","","","","","1.064","","","","has coordinates","200635","2020-10-21","18:00:00",""
"1547118","9.6628","0.0017","18.241","0.003","11.829","0.002","90","","90","","90","","2085","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N2 O3 -","- C25 H21 N2 O3 -","- C100 H84 N8 O12 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.085","0.0647","","","0.1616","0.1762","","","","","","1.038","","","","has coordinates","200636","2020-10-21","18:00:00",""
"1547119","7.9901","0.0013","9.9985","0.0016","16.101","0.003","101.591","0.003","98.611","0.003","107.446","0.003","1171.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","2","","Chen, Renjie; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Benzamides and Diazonaphthalen-2(1H)-ones for Synthesis of Lactones.","Organic letters","2017","19","15","4002","4005","10.1021/acs.orglett.7b01728","","","0.71073","MoKα","","0.0968","0.059","","","0.1513","0.1723","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547120","25.0398","0.0015","10.8136","0.0005","18.7266","0.0012","90","","104.572","0.002","90","","4907.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C216 H264 N8 O40 -","8","1","","Liao, Jia-Yu; Ni, Qijian; Zhao, Yu","Catalyst-Enabled Scaffold Diversity: Highly Chemo- and Stereoselective Synthesis of Tricyclic Ketals and Triarylmethanes.","Organic letters","2017","19","15","4074","4077","10.1021/acs.orglett.7b01851","","","0.71073","MoKα","","0.0821","0.0539","","","0.1255","0.1431","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547121","7.882","0.0002","9.3288","0.0002","11.9801","0.0008","90","","105.794","0.007","90","","847.64","0.07","85","2","85","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0425","0.0417","","","0.1023","0.1034","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547122","11.4016","0.0011","7.4909","0.0008","21.112","0.002","90","","93.186","0.003","90","","1800.4","0.3","298","2","298.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Liu, Shuang-Liang; Li, Yang; Guo, Jun-Ru; Yang, Guang-Chao; Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","An Approach to 3-(Indol-2-yl)succinimide Derivatives by Manganese-Catalyzed C-H Activation.","Organic letters","2017","19","15","4042","4045","10.1021/acs.orglett.7b01795","","","0.71073","MoKα","","0.0577","0.0412","","","0.1022","0.1113","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547123","9.0918","0.0015","12.255","0.002","12.832","0.002","74.988","0.003","88.662","0.003","88.721","0.003","1380.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O4 S -","- C30 H32 N2 O4 S -","- C60 H64 N4 O8 S2 -","2","1","","Li, Tian-Ren; Lu, Liang-Qiu; Wang, Ya-Ni; Wang, Bao-Cheng; Xiao, Wen-Jing","Divergent Synthesis of Polycyclic Indolines: Copper-Catalyzed Cascade Reactions of Propargylic Carbamates and Indoles.","Organic letters","2017","19","15","4098","4101","10.1021/acs.orglett.7b01903","","","0.71073","MoKα","","0.0881","0.064","","","0.1948","0.2261","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547124","7.7055","0.0006","25.8797","0.0014","13.0746","0.0011","90","","107.697","0.007","90","","2483.9","0.3","170.1","","170.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Br2 N O -","- C32 H23 Br2 N O -","- C128 H92 Br8 N4 O4 -","4","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","BF3-Promoted Divergent Reactions between Tryptophols and Propargylic Alcohols.","Organic letters","2017","19","15","4114","4117","10.1021/acs.orglett.7b01769","","","0.71073","MoKα","","0.0635","0.0428","","","0.088","0.0963","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547125","7.2089","0.0018","8.081","0.002","20.594","0.006","81.103","0.009","84.522","0.012","84.478","0.011","1175.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H26 N4 O5 -","- C26 H26 N4 O5 -","- C52 H52 N8 O10 -","2","2","","Kadam, Abhishek A.; Ellern, Arkady; Stanley, Levi M.","Enantioselective, Palladium-Catalyzed Conjugate Additions of Arylboronic Acids to Form Bis-benzylic Quaternary Stereocenters.","Organic letters","2017","19","15","4062","4065","10.1021/acs.orglett.7b01825","","","1.54178","CuKα","","0.0399","0.034","","","0.0889","0.0927","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547126","11.603","0.0007","7.704","0.0007","16.6899","0.0011","90","","95.102","0.006","90","","1485.99","0.19","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C72 H60 Cl4 N8 O4 -","4","1","","Li, Bo; Fang, Sheng-Long; Huang, Dan-Ying; Shi, Bing-Feng","Ru-Catalyzed Meta-C-H Benzylation of Arenes with Toluene Derivatives.","Organic letters","2017","19","15","3950","3953","10.1021/acs.orglett.7b01529","","","0.71073","MoKα","","0.0633","0.0459","","","0.111","0.1262","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547127","14.396","0.002","14.396","0.002","68.44","0.009","90","","90","","90","","14184","3","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C64 H41 F12 N7 O10 -","- C64 H37 F12 N7 O10 -","- C512 H296 F96 N56 O80 -","8","1","","Ema, Tadashi; Yokoyama, Maki; Watanabe, Sagiri; Sasaki, Sota; Ota, Hiromi; Takaishi, Kazuto","Chiral Macrocyclic Organocatalysts for Kinetic Resolution of Disubstituted Epoxides with Carbon Dioxide.","Organic letters","2017","19","15","4070","4073","10.1021/acs.orglett.7b01838","","","0.71075","MoKα","","0.1606","0.1474","","","0.3265","0.3382","","","","","","1.17","","","","has coordinates","200645","2020-10-21","18:00:00",""
"1547130","13.366","0.003","15.726","0.003","11.497","0.002","90","","110.678","0.003","90","","2260.9","0.8","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br N2 O2 S -","- C24 H23 Br N2 O2 S -","- C96 H92 Br4 N8 O8 S4 -","4","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.0771","0.0492","","","0.1411","0.1603","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547131","25.609","0.007","10.536","0.003","19.793","0.005","90","","130.31","","90","","4072.4","1.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.076","0.054","","","0.1531","0.1693","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547132","9.2443","0.0007","9.2239","0.0007","11.5114","0.0009","99.4294","0.0011","99.6133","0.0012","116.121","0.001","837.12","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.0543","0.0457","","","0.1321","0.1553","","","","","","0.992","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547133","6.3863","0.0003","12.2125","0.0006","12.3641","0.0003","100.937","0.003","101.585","0.004","103.902","0.004","887.81","0.07","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Br N O4 -","- C17 H20 Br N O4 -","- C34 H40 Br2 N2 O8 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Rhodium- and Non-Metal-Catalyzed Approaches for the Conversion of Isoxazol-5-ones to 2,3-Dihydro-6H-1,3-oxazin-6-ones.","Organic letters","2017","19","19","5158","5161","10.1021/acs.orglett.7b02436","","x-ray","1.54184","CuKα","","0.0332","0.0315","","","0.0824","0.084","","","","","","1.098","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547159","12.6396","0.0003","20.1301","0.0004","14.184","0.0003","90","","91.5813","0.0017","90","","3607.55","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 O10 -","- C39 H40 N4 O10 -","- C156 H160 N16 O40 -","4","2","","Zhang, Wei; Xu, Wei; Wang, Gui-Yang; Gong, Xue-Ying; Li, Ni-Ping; Wang, Lei; Ye, Wen-Cai","Gelsekoumidines A and B: Two Pairs of Atropisomeric Bisindole Alkaloids from the Roots of Gelsemium elegans.","Organic letters","2017","19","19","5194","5197","10.1021/acs.orglett.7b02463","","x-ray","1.54184","CuKα","","0.0821","0.0759","","","0.2056","0.2176","","","","","","1.022","","","","has coordinates","202776","2020-10-21","18:00:00",""
"1547160","15.703","0.003","24.65","0.004","14.556","0.003","90","","103.451","0.004","90","","5479.8","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 O8 -","- C64 H60 O8 -","- C256 H240 O32 -","4","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.2231","0.1207","","","0.3312","0.4037","","","","","","1.129","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547161","14.514","0.004","10.865","0.003","44.055","0.011","90","","90","","90","","6947","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C320 H320 N32 O32 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.6525","","","0.0465","0.0427","","","0.1188","0.1257","","","","","","1.1","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547162","12.6363","0.0013","23.284","0.002","25.125","0.003","90","","90","","90","","7392.4","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C320 H416 O64 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.1343","0.0843","","","0.225","0.2622","","","","","","1.04","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547163","7.6528","0.0002","12.1548","0.0002","21.7284","0.0005","90","","90","","90","","2021.14","0.08","297.5","0.6","297.5","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 I N2 O3 -","- C21 H17 I N2 O3 -","- C84 H68 I4 N8 O12 -","4","1","","Liang, Lei; Xie, Ming-Sheng; Qin, Tao; Zhu, Man; Qu, Gui-Rong; Guo, Hai-Ming","Regio- and Enantioselective Synthesis of Chiral Pyrimidine Acyclic Nucleosides via Rhodium-Catalyzed Asymmetric Allylation of Pyrimidines.","Organic letters","2017","19","19","5212","5215","10.1021/acs.orglett.7b02482","","x-ray","1.54184","CuKα","","0.038","0.034","","","0.0822","0.0843","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547164","65.689","0.008","4.6345","0.0005","21.077","0.002","90","","100.837","0.008","90","","6302.2","1.2","303","2","303","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 F3 N O9 -","- C21 H20 F3 N O9 -","- C252 H240 F36 N12 O108 -","12","3","","Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir","Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.","Organic letters","2017","19","19","5038","5041","10.1021/acs.orglett.7b02170","","","1.54178","CuKα","","0.2266","0.1107","","","0.2366","0.2972","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547165","10.3304","0.0012","17.89","0.002","23.784","0.003","96.034","0.005","99.172","0.005","99.186","0.005","4245.1","0.9","291","2","291","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19.5 F3 N2 O1.25 -","- C25 H19.5 F3 N2 O1.25 -","- C200 H156 F24 N16 O10 -","8","4","","Gao, Yuelei; Hu, Zhongyan; Dong, Jinhuan; Liu, Jun; Xu, Xianxiu","Chemoselective Double Annulation of Two Different Isocyanides: Rapid Access to Trifluoromethylated Indole-Fused Heterocycles.","Organic letters","2017","19","19","5292","5295","10.1021/acs.orglett.7b02582","","","0.71073","MoKα","","0.1776","0.0729","","","0.1636","0.2102","","","","","","1.041","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547166","24.3391","0.0006","8.299","0.0002","35.4906","0.0008","90","","90","","90","","7168.8","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H31 Cl4 N O2 -","- C46 H31 Cl4 N O2 -","- C368 H248 Cl32 N8 O16 -","8","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.073","0.0551","","","0.1198","0.1272","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547167","13.408","0.0003","14.6595","0.0003","31.3393","0.0007","90","","98.0086","0.0012","90","","6099.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82 H64 N2 O4 -","- C82 H64 N2 O4 -","- C328 H256 N8 O16 -","4","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.0653","0.0554","","","0.1481","0.1564","","","","","","1.034","","","","has coordinates,has disorder","202794","2020-10-21","18:00:00",""
"1547168","12.5138","0.0003","17.6266","0.0004","19.7375","0.0004","90","","117.443","0.001","90","","3863.7","0.15","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C168 H200 N8 O24 S8 -","8","2","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0946","0.0534","","","0.1133","0.1297","","","","","","1.009","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547169","7.4989","0.0002","11.9755","0.0003","20.6566","0.0006","90","","90","","90","","1855.03","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0974","0.0606","","","0.1079","0.123","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547170","7.1561","0.0006","8.0619","0.0006","12.865","0.001","87.837","0.004","88.161","0.004","75.494","0.004","717.84","0.1","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H34 -","- C42 H34 -","- C42 H34 -","1","0.5","","Barker, Joshua E.; Frederickson, Conerd K.; Jones, Michael H.; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Properties of Quinoidal Fluorenofluorenes.","Organic letters","2017","19","19","5312","5315","10.1021/acs.orglett.7b02605","","","1.54178","CuKα","","0.0677","0.0621","","","0.1733","0.1778","","","","","","1.065","","","","has coordinates","202802","2020-10-21","18:00:00",""
"1547176","14.4914","0.0003","14.4914","0.0003","14.4935","0.0005","90","","90","","90","","3043.64","0.14","100","","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C136 H104 Br8 N16 O16 -","8","2","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0841","0.0553","","","0.0889","0.1055","","","","","","0.669","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547177","8.3966","0.0002","10.4923","0.0003","16.3473","0.0004","90","","90","","90","","1440.19","0.06","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0401","0.0322","","","0.0694","0.074","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547178","9.9333","0.0002","32.2929","0.0006","28.6843","0.0006","90","","96.813","0.002","90","","9136.2","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C77 H15 N O2 S3 -","- C77 H15 N O2 S3 -","- C616 H120 N8 O16 S24 -","8","2","","Jiang, Sheng-Peng; Zhang, Mengmeng; Wang, Cheng-Yu; Yang, Shangfeng; Wang, Guan-Wu","Cascade Radical Reaction of N-Sulfonyl-2-allylanilines with [60]Fullerene: Synthesis and Functionalization of (2-Indolinyl)methylated Hydrofullerenes.","Organic letters","2017","19","19","5110","5113","10.1021/acs.orglett.7b02343","","","1.54184","CuKα","","0.088","0.0714","","","0.1767","0.1869","","","","","","1.065","","","","has coordinates","202788","2020-10-21","18:00:00",""
"1547179","14.4154","0.0006","6.024","0.0002","15.0935","0.0006","90","","94.616","0.007","90","","1306.44","0.09","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","MePyNaph","3-methyl-N-(naphthalen-1-yl)picolinamide","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi","Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover.","Organic letters","2017","19","19","5458","5461","10.1021/acs.orglett.7b02778","","","1.54187","CuKα","","0.0846","0.0517","","","0.1215","0.137","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547195","11.3435","0.0013","12.4428","0.0013","18.028","0.002","90","","90","","90","","2544.6","0.5","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0752","0.0522","","","0.1295","0.1429","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547196","12.3331","0.0006","12.5411","0.0005","12.506","0.0006","90","","117.489","0.001","90","","1715.93","0.14","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0718","0.0558","","","0.1633","0.1796","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547197","6.105","0.0012","17.278","0.003","9.698","0.002","90","","97.095","0.004","90","","1015.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Lin, Zhichen; Hu, Zhongyan; Zhang, Xin; Dong, Jinhuan; Liu, Jian-Biao; Chen, De-Zhan; Xu, Xianxiu","Tandem Synthesis of Pyrrolo[2,3-b]quinolones via Cadogen-Type Reaction.","Organic letters","2017","19","19","5284","5287","10.1021/acs.orglett.7b02558","","","0.71069","MoKα","","0.0838","0.0494","","","0.1054","0.1317","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547221","7.1541","0.0004","12.2169","0.0007","12.5923","0.0007","64.384","0.002","84.733","0.003","89.351","0.003","987.72","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O10 -","- C21 H24 O10 -","- C42 H48 O20 -","2","1","","Wang, Rurun; Seyedsayamdost, Mohammad R.","Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid.","Organic letters","2017","19","19","5138","5141","10.1021/acs.orglett.7b02424","","","1.54178","CuKα","","0.043","0.0354","","","0.0974","0.1104","","","","","","1.104","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547222","8.4319","0.0003","11.7976","0.0004","13.0028","0.0005","89.9418","0.0014","106.386","0.0012","106.877","0.0013","1182.87","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O9 S -","- C22 H24 O9 S -","- C44 H48 O18 S2 -","2","1","","Wang, Rurun; Seyedsayamdost, Mohammad R.","Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid.","Organic letters","2017","19","19","5138","5141","10.1021/acs.orglett.7b02424","","","1.54178","CuKα","","0.0379","0.036","","","0.0964","0.0983","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547223","13.4005","0.0007","9.5236","0.0007","14.6548","0.0007","90","","105.033","0.005","90","","1806.25","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong","Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.","Organic letters","2017","19","19","5086","5089","10.1021/acs.orglett.7b02251","","x-ray","0.71073","MoKα","","0.1272","0.0595","","","0.1137","0.1463","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547224","8.4694","0.0007","9.9145","0.0008","11.0455","0.0008","104.21","0.007","93.496","0.006","100.126","0.007","879.82","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","","Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong","Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.","Organic letters","2017","19","19","5086","5089","10.1021/acs.orglett.7b02251","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.113","0.13","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547225","13.668","0.005","12.191","0.004","11.563","0.004","90","","112.665","0.006","90","","1777.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0742","0.044","","","0.1198","0.1452","","","","","","1.009","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547226","9.3245","0.0005","19.8436","0.001","9.8852","0.0004","90","","97.067","0.005","90","","1815.18","0.15","291.24","0.12","291.24","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0929","0.0603","","","0.1279","0.1465","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547227","9.4551","0.0014","11.3229","0.0017","18.946","0.003","90","","97.519","0.002","90","","2010.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0599","0.0406","","","0.1135","0.1304","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547228","14.8","0.004","12.024","0.004","11.523","0.003","90","","112.388","0.006","90","","1896","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N O -","- C23 H18 Cl N O -","- C92 H72 Cl4 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0954","0.0468","","","0.1115","0.1353","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547229","17.5173","0.0018","11.7477","0.0012","17.1922","0.0018","90","","90","","90","","3537.9","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C23 H18 F N O -","- C23 H18 F N O -","- C184 H144 F8 N8 O8 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0541","0.0395","","","0.0983","0.1079","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547230","8.4979","0.0012","9.606","0.0013","9.7613","0.0013","90.716","0.002","105.714","0.002","100.679","0.002","752.1","0.18","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","2","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0329","0.0312","","","0.0845","0.0873","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547231","25.773","0.005","12.89","0.003","11.497","0.002","90","","91.868","0.004","90","","3817.4","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0624","0.0412","","","0.1176","0.139","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547234","17.843","0.002","22.6128","0.0017","23.019","0.002","90","","104.466","0.01","90","","8993.3","1.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N2 O S -","- C23 H21 F3 N2 O S -","- C368 H336 F48 N32 O16 S16 -","16","4","","Zhao, Qun; Poisson, Thomas; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Besset, Tatiana","Pd-Catalyzed Diastereoselective Trifluoromethylthiolation of Functionalized Acrylamides.","Organic letters","2017","19","19","5106","5109","10.1021/acs.orglett.7b02384","","","0.71069","MoKα","","0.1823","0.0811","","0.159","0.0896","0.0896","","","","","","1.1344","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547235","8.0887","0.0006","6.4489","0.0005","22.5011","0.0017","90","","93.799","0.001","90","","1171.15","0.15","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ogiwara, Yohei; Sato, Kazuya; Sakai, Norio","Palladium-Catalyzed Cyclization of Alkynoic Acids To Form Vinyl Dioxanones Bearing a Quaternary Allylic Carbon.","Organic letters","2017","19","19","5296","5299","10.1021/acs.orglett.7b02572","","","0.71073","MoKα","","0.0444","0.0425","","","0.1119","0.1136","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547236","13.6337","0.0007","14.573","0.0007","17.0961","0.0009","90","","90","","90","","3396.7","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Co F N O2 -","- C18 H18 Cl Co F N O2 -","- C144 H144 Cl8 Co8 F8 N8 O16 -","8","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0731","0.0531","","","0.134","0.1469","","","","","","1.037","","","","has coordinates","202786","2020-10-21","18:00:00",""
"1547237","8.3729","0.0002","18.1458","0.0004","14.1298","0.0003","90","","113.125","0.001","90","","1974.29","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Br Cl Co N O3 -","- C19 H22 Br Cl Co N O3 -","- C76 H88 Br4 Cl4 Co4 N4 O12 -","4","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0293","0.0285","","","0.0712","0.0718","","","","","","1.054","","","","has coordinates","288040","2023-12-05","15:03:41",""
"1547238","15.2176","0.0005","8.3864","0.0003","32.8506","0.0011","90","","90","","90","","4192.4","0.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 S2 -","- C29 H16 S2 -","- C232 H128 S16 -","8","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.1155","0.0779","","","0.195","0.239","","","","","","1.127","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547239","12.2019","0.0002","15.4584","0.0003","16.691","0.0003","90","","94.737","0.001","90","","3137.53","0.1","193","2","193","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C31 H18 Cl6 O4 S2 -","- C31 H18 Cl6 O4 S2 -","- C124 H72 Cl24 O16 S8 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.0757","0.0698","","","0.1967","0.2024","","","","","","1.066","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547240","11.246","0.002","17.285","0.004","11.864","0.002","90","","90","","90","","2306.2","0.8","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.1092","0.0957","","","0.2581","0.272","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547241","14.352","0.005","8.032","0.003","22.473","0.008","90","","95.996","0.008","90","","2576.4","1.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F N O -","- C15 H18 F N O -","- C120 H144 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.067","0.0509","","","0.133","0.1423","","","","","","0.961","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547262","7.708","0.0014","7.8648","0.0014","14.246","0.003","105.133","0.002","90.39","0.003","110.375","0.003","776.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 B10 N O2 -","- C10 H19 B10 N O2 -","- C20 H38 B20 N2 O4 -","2","1","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.0535","0.0434","","","0.1226","0.1519","","","","","","1.112","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547263","7.8102","0.0018","10.484","0.002","14.408","0.003","101.922","0.005","101.787","0.004","102.815","0.004","1086.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 B10 N2 O2 -","- C17 H22 B10 N2 O2 -","- C34 H44 B20 N4 O4 -","2","1","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.0962","0.057","","","0.1511","0.18","","","","","","1.041","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547264","10.435","0.005","10.813","0.005","21.42","0.009","84.083","0.007","81.585","0.007","75.119","0.007","2305.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 B10 N O4 -","- C18 H29 B10 N O4 -","- C72 H116 B40 N4 O16 -","4","2","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.1198","0.09","","","0.2534","0.2982","","","","","","1.018","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547265","12.4255","0.0009","15.7669","0.0011","17.6793","0.0013","90","","102.091","0.003","90","","3386.7","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 N2 O2 Si -","- C41 H42 N2 O2 Si -","- C164 H168 N8 O8 Si4 -","4","1","","Williams, David R.; Bawel, Seth A.; Schaugaard, Richard N.","A Stereoselective Michael-Mannich Annelation Strategy for the Construction of Novel Tetrahydrocarbazoles.","Organic letters","2017","19","19","5098","5101","10.1021/acs.orglett.7b02323","","","0.71073","MoKα","","0.0825","0.0516","","0.1551","0.1317","0.1551","","","","","","0.9668","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547295","11.9025","0.0008","7.4111","0.0006","13.2657","0.0009","90","","90","","90","","1170.18","0.15","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Hao, Feiyue; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Direct Aziridination of Nitroalkenes Affording N-Alkyl-C-nitroaziridines and the Subsequent Lewis Acid Mediated Isomerization to β-Nitroenamines.","Organic letters","2017","19","19","5442","5445","10.1021/acs.orglett.7b02724","","","0.71075","MoKα","","0.1021","0.0567","","","0.1257","0.1591","","","","","","0.91","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547296","8.0103","0.0002","6.9176","0.0002","24.3023","0.0005","90","","95.153","0.001","90","","1341.2","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0457","0.0381","","","0.1287","0.1408","","","","","","1.16","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547297","7.9568","0.0003","13.6772","0.0005","14.6028","0.0006","69.85","0.001","87.671","0.001","77.154","0.001","1453.44","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O Si -","- C15 H18 N2 O Si -","- C60 H72 N8 O4 Si4 -","4","2","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.036","0.0324","","","0.091","0.0936","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547298","11.9573","0.0003","11.2275","0.0003","14.8598","0.0004","90","","98.926","0.001","90","","1970.78","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O Si -","- C21 H22 N2 O Si -","- C84 H88 N8 O4 Si4 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0502","0.0481","","","0.1236","0.1258","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547299","8.126","0.0002","20.9981","0.0005","11.7913","0.0002","90","","120.091","0.001","90","","1740.81","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F2 N3 O Pd -","- C20 H13 F2 N3 O Pd -","- C80 H52 F8 N12 O4 Pd4 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0218","0.0212","","","0.0557","0.0562","","","","","","1.087","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547300","19.273","0.007","7.63","0.003","12.384","0.005","90","","100.001","0.01","90","","1793.4","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 Si -","- C18 H28 O3 Si -","- C72 H112 O12 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.1088","0.0875","","","0.2212","0.2375","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547301","7.3119","0.0005","11.552","0.0009","12.6325","0.001","104.854","0.0024","97.6124","0.0022","94.5246","0.0023","1015.17","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C42 H64 O6 Si2 -","2","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0646","0.0511","","","0.1342","0.1435","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547302","9.1835","0.0005","11.772","0.0006","11.8757","0.0006","97.9911","0.0014","97.2935","0.0014","105.76","0.0015","1205.18","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","2","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0592","0.0471","","","0.1285","0.1378","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547303","19.8426","0.0011","7.7701","0.0004","12.1168","0.0007","90","","91.8138","0.0018","90","","1867.22","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O4 Si -","- C18 H28 O4 Si -","- C72 H112 O16 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0634","0.0479","","","0.1249","0.1354","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547304","7.2951","0.0003","25.7751","0.001","10.621","0.0005","90","","95.7546","0.0029","90","","1987.02","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 O3 Si -","- C19 H30 O3 Si -","- C76 H120 O12 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.1252","0.0836","","","0.1757","0.1987","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547305","8.9921","0.001","14.991","0.0014","18.8794","0.0012","70.038","0.007","86.459","0.007","82.52","0.008","2371.3","0.4","292.95","0.1","292.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl F3 N2 O3 S -","- C25 H18 Cl F3 N2 O3 S -","- C100 H72 Cl4 F12 N8 O12 S4 -","4","2","","Meng, Qiang; Chen, Fei; Yu, Wei; Han, Bing","Copper-Catalyzed Cascade Cyclization of 1,7-Enynes toward Trifluoromethyl-Substituted 1'H-Spiro[azirine-2,4'-quinolin]-2'(3'H)-ones.","Organic letters","2017","19","19","5186","5189","10.1021/acs.orglett.7b02453","","","0.71073","MoKα","","0.1379","0.0707","","","0.164","0.24","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547310","11.1051","0.0008","11.6556","0.0007","12.5568","0.0009","65.997","0.006","65.067","0.007","67.782","0.006","1303.82","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O5 Se -","- C28 H24 N4 O5 Se -","- C56 H48 N8 O10 Se2 -","2","1","","Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun","Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.","Organic letters","2017","19","19","5450","5453","10.1021/acs.orglett.7b02751","","","0.71073","MoKα","","0.0682","0.04","","","0.0744","0.0856","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547311","13.0995","0.0006","13.8051","0.0005","15.6445","0.0005","90","","112.12","0.005","90","","2620.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F N4 O5 Se -","- C28 H23 F N4 O5 Se -","- C112 H92 F4 N16 O20 Se4 -","4","1","","Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun","Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.","Organic letters","2017","19","19","5450","5453","10.1021/acs.orglett.7b02751","","","0.71073","MoKα","","0.0633","0.0481","","","0.1275","0.1384","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547312","8.5275","0.0003","10.4444","0.0003","11.7063","0.0004","71.7186","0.0015","77.0693","0.0012","66.7601","0.0009","903.67","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0557","0.0425","","","0.1028","0.1121","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547313","26.201","0.002","9.1245","0.0007","16.2023","0.0013","90","","108.289","0.003","90","","3677.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0939","0.0429","","","0.0912","0.1135","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547314","10.907","0.0003","11.8602","0.0003","12.5989","0.0003","114.533","0.001","105.84","0.001","100.619","0.001","1341.35","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cl3 N O2 -","- C31 H24 Cl3 N O2 -","- C62 H48 Cl6 N2 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0984","0.0801","","","0.1957","0.2135","","","","","","0.941","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547315","9.0802","0.0003","9.9498","0.0004","24.9306","0.0009","90","","98.8194","0.0013","90","","2225.75","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C120 H92 N4 O8 -","4","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0526","0.036","","","0.0879","0.0997","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547316","9.3618","0.0004","10.5515","0.0005","24.1467","0.0011","90","","96.2562","0.0019","90","","2371.03","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0585","0.0454","","","0.108","0.1175","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547317","8.7392","0.0003","10.6106","0.0003","11.8953","0.0004","73.1183","0.0016","78.1739","0.0017","66.4494","0.0015","962.6","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C54 H36 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0876","0.0706","","","0.1992","0.2232","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547318","11.2003","0.0003","32.9681","0.0009","9.9704","0.0003","90","","103.46","0.001","90","","3580.47","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B N O4 -","- C20 H20 B N O4 -","- C160 H160 B8 N8 O32 -","8","2","","Khanizeman, R. N.; Barde, E.; Bates, R. W.; Guérinot, A; Cossy, J.","Modular Access to Triarylethylene Units from Arylvinyl MIDA Boronates Using a Regioselective Heck Coupling.","Organic letters","2017","19","19","5046","5049","10.1021/acs.orglett.7b02218","","","1.54178","CuKα","","0.0495","0.0391","","","0.0979","0.1039","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547357","7.8958","0.0004","16.9193","0.0006","18.2874","0.0008","90","","90","","90","","2443.04","0.19","290.84","0.1","290.84","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O5 S2 -","- C25 H25 N2 O5 S2 -","- C100 H100 N8 O20 S8 -","4","1","","Zhu, Shi-Ya; Zhang, Yuanzhen; Wang, Wei; Hui, Xin-Ping","Stereoselective Synthesis of Functionalized Tetrahydro-1H-1,2-diazepines by N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation.","Organic letters","2017","19","19","5380","5383","10.1021/acs.orglett.7b02657","","","0.7107","MoKα","","0.0819","0.0565","","","0.1168","0.1347","","","","","","1.022","","","","has coordinates","202772","2020-10-21","18:00:00",""
"1547358","11.5449","0.0005","34.1483","0.0014","4.9573","0.0002","90","","90","","90","","1954.36","0.14","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0728","0.0481","","","0.0895","0.0982","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547359","11.3495","0.0005","36.3258","0.0017","4.7864","0.0002","90","","90","","90","","1973.34","0.15","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C92 H88 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.035","0.0312","","","0.0754","0.0771","","","","","","1.089","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547360","5.3844","0.0004","21.4986","0.0016","8.2956","0.0006","90","","106.438","0.004","90","","921.02","0.12","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 I N3 O7 S -","- C15 H16 I N3 O7 S -","- C30 H32 I2 N6 O14 S2 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.54178","CuKα","","0.0732","0.0712","","","0.1855","0.1874","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547361","22.1529","0.0011","9.8472","0.0005","15.6753","0.0008","90","","121.483","0.002","90","","2916.1","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H29 Cl2 I N2 O7 -","- C27 H29 Cl2 I N2 O7 -","- C108 H116 Cl8 I4 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.08","0.065","","","0.1419","0.1517","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547362","5.272","0.0005","14.4113","0.0014","33.766","0.003","90","","90","","90","","2565.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I3 N2 O5 -","- C24 H21 I3 N2 O5 -","- C96 H84 I12 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0779","0.0747","","","0.1961","0.1984","","","","","","1.126","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547363","4.8466","0.0001","11.7928","0.0003","18.3146","0.0005","90","","96.5347","0.0015","90","","1039.97","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0615","0.044","","","0.0811","0.0861","","","","","","1.142","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547364","8.9667","0.0002","7.6705","0.0002","16.1715","0.0004","90","","92.338","0.001","90","","1111.33","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0344","0.0339","","","0.082","0.0826","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547392","25.657","0.0017","6.1824","0.0004","12.8915","0.0007","90","","90","","90","","2044.9","0.2","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0876","0.0847","","","0.2608","0.2636","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547393","12.1637","0.0003","6.9628","0.0002","13.0151","0.0004","90","","104.05","0.001","90","","1069.32","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0333","0.0313","","","0.0813","0.0831","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547394","10.1934","0.0009","11.1437","0.001","19.3947","0.0018","90","","90","","90","","2203.1","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F N2 O3 -","- C23 H27 F N2 O3 -","- C92 H108 F4 N8 O12 -","4","1","","Paladhi, Sushovan; Park, Sang Yeon; Yang, Jung Woon; Song, Choong Eui","Asymmetric Synthesis of α-Fluoro-β-Amino-oxindoles with Tetrasubstituted C-F Stereogenic Centers via Cooperative Cation-Binding Catalysis.","Organic letters","2017","19","19","5336","5339","10.1021/acs.orglett.7b02628","","","0.71073","MoKα","","0.0985","0.0503","","","0.0925","0.1106","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547395","8.0793","0.0002","9.9652","0.0003","13.6943","0.0003","93.198","0.002","105.789","0.002","91.377","0.002","1058.42","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C48 H36 F6 N2 O6 S2 -","2","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","1.54184","CuKα","","0.0606","0.0582","","","0.1556","0.1598","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547396","11.3446","0.0004","15.1444","0.0005","13.1535","0.0004","90","","104.43","0.003","90","","2188.57","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C96 H72 F12 N4 O12 S4 -","4","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","1.54184","CuKα","","0.0735","0.0595","","","0.1596","0.1727","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547397","10.6461","0.0011","7.0696","0.0006","23.381","0.003","90","","95.897","0.009","90","","1750.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","0.71073","MoKα","","0.1922","0.0758","","","0.0852","0.1136","","","","","","0.915","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547398","6.8529","0.0003","11.4799","0.0004","26.6681","0.0009","90","","90","","90","","2098","0.14","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O2 -","- C23 H29 B O2 -","- C92 H116 B4 O8 -","4","1","","Chen, Chenhui; Shen, Xuzhong; Chen, Jianhui; Hong, Xin; Lu, Zhan","Iron-Catalyzed Hydroboration of Vinylcyclopropanes.","Organic letters","2017","19","19","5422","5425","10.1021/acs.orglett.7b02691","","","1.54184","CuKα","","0.0665","0.0572","","","0.1578","0.1687","","","","","","1.074","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547399","11.626","0.005","13.194","0.005","13.907","0.005","107.517","0.013","91.291","0.013","105.046","0.013","1952.8","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Br N O3 -","- C23 H18 Br N O3 -","- C92 H72 Br4 N4 O12 -","4","2","","Zhang, Yuwen; Tong, Xiaofeng","Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones.","Organic letters","2017","19","19","5462","5465","10.1021/acs.orglett.7b02787","","","0.71073","MoKα","","0.1159","0.0689","","","0.1922","0.2358","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547400","7.3638","0.0016","8.8975","0.0019","11.801","0.003","68.539","0.004","84.494","0.004","78.362","0.004","704.6","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Zhang, Yuwen; Tong, Xiaofeng","Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones.","Organic letters","2017","19","19","5462","5465","10.1021/acs.orglett.7b02787","","","0.71073","MoKα","","0.1194","0.0536","","","0.1251","0.1537","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547401","14.242","0.0017","15.1637","0.0019","15.545","0.002","61.832","0.004","68.911","0.004","89.354","0.004","2709.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Br2 N3 Pd -","- C31 H23 Br2 N3 Pd -","- C124 H92 Br8 N12 Pd4 -","4","2","","Karthik, Shanmugam; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene-Catalyzed Direct C-H Acylation of Heteroarenes with N-Acylsaccharins.","Organic letters","2017","19","19","5486","5489","10.1021/acs.orglett.7b02877","","","0.71073","MoKα","","0.1225","0.0886","","","0.2286","0.2464","","","","","","1.038","","","","has coordinates","202810","2020-10-21","18:00:00",""
"1547454","9.60806","0.00017","11.4151","0.0002","20.1805","0.0014","90","","90","","90","","2213.34","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O7 S -","- C25 H23 N O7 S -","- C100 H92 N4 O28 S4 -","4","1","","Takizawa, Shinobu; Sako, Makoto; Abozeid, Mohamed Ahmed; Kishi, Kenta; Wathsala, H. D. P.; Hirata, Shuichi; Murai, Kenichi; Fujioka, Hiromichi; Sasai, Hiroaki","Enantio- and Diastereoselective Betti/aza-Michael Sequence: Single Operated Preparation of Chiral 1,3-Disubstituted Isoindolines.","Organic letters","2017","19","19","5426","5429","10.1021/acs.orglett.7b02693","","","1.54187","CuKα","","0.0275","0.027","","","0.0695","0.0698","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547455","7.5979","0.0016","16.309","0.004","13.633","0.003","90","","91.809","0.019","90","","1688.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F5 N O2 -","- C19 H16 F5 N O2 -","- C76 H64 F20 N4 O8 -","4","1","","Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang","Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers.","Organic letters","2017","19","19","5478","5481","10.1021/acs.orglett.7b02828","","","0.71073","MoKα","","0.0928","0.0619","","","0.1803","0.201","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547456","17.687","0.003","10.7866","0.0019","7.8181","0.0013","90","","92.685","0.003","90","","1489.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O -","- C16 H15 F2 N3 O -","- C64 H60 F8 N12 O4 -","4","1","","Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang","Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers.","Organic letters","2017","19","19","5478","5481","10.1021/acs.orglett.7b02828","","","0.71073","MoKα","","0.0682","0.0592","","","0.1572","0.1678","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547489","12.1023","0.0003","8.2733","0.0002","13.0573","0.0004","90","","105.335","0.002","90","","1260.83","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Hsu, Day-Shin; Yeh, Jen-Yu; Cheng, Chiao-Yun","Total Synthesis of the Proposed Structure of (±)-Nidemone.","Organic letters","2017","19","20","5549","5552","10.1021/acs.orglett.7b02645","","","0.71073","MoKα","","0.0826","0.0461","","","0.1019","0.1293","","","","","","1.183","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547490","9.8299","0.0015","14.231","0.002","17.386","0.003","102.214","0.002","101.847","0.003","98.259","0.003","2281.5","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H122 Cl10 I4 P2 Pd2 -","- C68 H110 Cl4 I4 P2 Pd2 -","- C68 H110 Cl4 I4 P2 Pd2 -","1","0.5","","Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.","Organic letters","2017","19","20","5641","5644","10.1021/acs.orglett.7b02807","","","0.71073","MoKα","","0.0442","0.0309","","","0.0693","0.0779","","","","","","1.037","","","","has coordinates","202824","2020-10-21","18:00:00",""
"1547491","13.9909","0.0007","21.5456","0.0011","10.7208","0.0005","90","","105.505","0.001","90","","3114.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 P2 Pd -","- C64 H102 P2 Pd -","- C128 H204 P4 Pd2 -","2","0.5","","Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.","Organic letters","2017","19","20","5641","5644","10.1021/acs.orglett.7b02807","","","0.71073","MoKα","","0.0497","0.0387","","","0.094","0.1029","","","","","","1.054","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547492","19.7299","0.0001","19.7299","0.0001","30.7413","0.0002","90","","90","","120","","10363.4","0.1","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C450 H522 N18 O90 -","18","2","","Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang","Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","Organic letters","2017","19","20","5621","5624","10.1021/acs.orglett.7b02748","","","1.54178","CuKα","","0.0301","0.0294","","","0.0804","0.0811","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547505","9.8851","0.0004","5.5559","0.0002","27.8824","0.0011","90","","94.53","0.002","90","","1526.54","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Das, Tamal Kanti; Mondal, Santigopal; Gonnade, Rajesh G.; Biju, Akkattu T.","Base-Free and Catalyst-Free Synthesis of Functionalized Dihydrobenzoxazoles via Vinylogous Carbonate to Carbamate Rearrangement.","Organic letters","2017","19","20","5597","5600","10.1021/acs.orglett.7b02733","","","0.71073","MoKα","","0.0538","0.0501","","","0.1148","0.1168","","","","","","1.135","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547506","21.688","0.002","9.136","0.0009","30.698","0.003","90","","90","","90","","6082.5","1","213","2","213.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H33 N O7 S -","- C34 H33 N O7 S -","- C272 H264 N8 O56 S8 -","8","2","","Chen, Junlong; Huang, You","Phosphine-Catalyzed Sequential [4 + 3] Domino Annulation/Allylic Alkylation Reaction of MBH Carbonates: Efficient Construction of Seven-Membered Heterocycles.","Organic letters","2017","19","20","5609","5612","10.1021/acs.orglett.7b02742","","","0.71073","MoKα","","0.0788","0.0749","","","0.1934","0.1995","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547507","11.0625","0.0012","8.6759","0.001","17.0878","0.0019","90","","107.297","0.003","90","","1565.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F3 N O3 S -","- C12 H22 F3 N O3 S -","- C48 H88 F12 N4 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0446","0.035","","","0.085","0.0913","","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547508","13.4671","0.0011","8.2755","0.0007","20.6849","0.0018","90","","100.909","0.005","90","","2263.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 F3 N3 O3 S -","- C19 H34 F3 N3 O3 S -","- C76 H136 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0816","0.0502","","","0.1135","0.1346","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547509","10.299","0.002","8.3668","0.0017","29.872","0.006","90","","92.79","0.03","90","","2571","0.9","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 F3 N3 O3 S -","- C23 H42 F3 N3 O3 S -","- C92 H168 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0867","0.0574","","","0.1511","0.1743","","","","","","1.08","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547510","13.4463","0.0006","8.2683","0.0003","20.7728","0.0009","90","","101.259","0.003","90","","2265.03","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 F3 N3 O3 S -","- C19 H33 F3 N3 O3 S -","- C76 H132 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","x-ray","0.71073","MoKα","","0.0641","0.0423","","","0.0993","0.1104","","","","","","1.027","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547511","17.684","0.004","17.465","0.004","33.978","0.007","90","","90","","90","","10494","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 F3 N3 O3 S -","- C23 H41 F3 N3 O3 S -","- C368 H656 F48 N48 O48 S16 -","16","2","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.1783","0.0911","","","0.2157","0.2621","","","","","","0.886","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547512","15.6706","0.0009","12.5278","0.0006","14.3707","0.0008","90","","110.805","0.006","90","","2637.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F6 N3 O6 S2 -","- C20 H33 F6 N3 O6 S2 -","- C80 H132 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0365","0.0334","","","0.0816","0.0836","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547513","23.095","0.002","13.2861","0.0012","10.6916","0.001","90","","90","","90","","3280.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 F6 N4 O6 S2 -","- C26 H44 F6 N4 O6 S2 -","- C104 H176 F24 N16 O24 S8 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","x-ray","0.71073","MoKα","","0.0675","0.0471","","","0.0986","0.1073","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547514","7.3581","0.0006","9.0853","0.0007","9.4911","0.0007","108.041","0.002","101.319","0.002","98.946","0.002","575.42","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(8-ethyl-5,6,7,8-tetrahydroindolizin-8-yl)propiolic acid","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Shemet, Andrej; Carreira, Erick M.","Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution.","Organic letters","2017","19","20","5529","5532","10.1021/acs.orglett.7b02619","","x-ray","0.71073","MoKα","","0.0565","0.0442","","","0.1091","0.1175","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547515","8.3072","0.0007","23.509","0.002","8.9287","0.0008","90","","98.124","0.002","90","","1726.2","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R)-3a-ethyl-(methoxymethyl)-1,2,3,3a,4,5-hexahydrobenzo[2,3]azonino[6,5,4-hi]indolizin-6(7H)-one","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Shemet, Andrej; Carreira, Erick M.","Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution.","Organic letters","2017","19","20","5529","5532","10.1021/acs.orglett.7b02619","","x-ray","0.71073","MoKα","","0.0601","0.0434","","","0.1095","0.1191","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547527","13.794","0.002","7.4068","0.0013","15.014","0.002","90","","99.751","0.004","90","","1511.8","0.4","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H30 Br F N2 O8 S -","- C31 H30 Br F N2 O8 S -","- C62 H60 Br2 F2 N4 O16 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71075","MoKα","","0.0259","0.0215","","","0.0407","0.0411","","","","","","0.873","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547528","7.762","0.006","12.126","0.009","14.58","0.012","100.941","0.009","98.338","0.015","93.2","0.011","1328.2","1.8","113","2","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Br Cl N2 O6 S -","- C27 H22 Br Cl N2 O6 S -","- C54 H44 Br2 Cl2 N4 O12 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0676","0.0481","","","0.1193","0.1289","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547529","8.275","0.006","22.39","0.018","9.224","0.007","90","","109.92","0.011","90","","1607","2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N O2 P2 -","- C39 H35 N O2 P2 -","- C78 H70 N2 O4 P4 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0452","0.0367","","","0.0846","0.0882","","","","","","0.997","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547530","7.1898","0.0002","19.2245","0.0004","7.5937","0.0002","90","","113.318","0.003","90","","963.87","0.05","293.02","0.1","293.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N2 O -","- C10 H7 Br N2 O -","- C40 H28 Br4 N8 O4 -","4","1","","Wang, Qing-Qing; Xu, Kun; Jiang, Yang-Ye; Liu, Yong-Guo; Sun, Bao-Guo; Zeng, Cheng-Chu","Electrocatalytic Minisci Acylation Reaction of N-Heteroarenes Mediated by NH4I.","Organic letters","2017","19","20","5517","5520","10.1021/acs.orglett.7b02589","","","1.54184","CuKα","","0.0428","0.0394","","","0.1087","0.1154","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547551","7.5278","0.0006","12.6117","0.0008","13.7183","0.001","90","","90","","90","","1302.39","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","DIPEA-Promoted Reaction of 2-Nitrochalcones with Elemental Sulfur: An Unusual Approach to 2-Benzoylbenzothiophenes.","Organic letters","2017","19","18","4858","4860","10.1021/acs.orglett.7b02321","","","1.54187","CuKα","","0.0696","0.0544","","","0.1299","0.1469","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547552","14.952","0.003","18.354","0.004","9.4968","0.0019","90","","90","","90","","2606.2","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","0.71073","MoKα","","0.1369","0.115","","","0.2576","0.273","","","","","","1.311","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547553","16.4116","0.0005","5.5613","0.0002","17.4699","0.0005","90","","105.341","0.003","90","","1537.66","0.09","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18.74 N2 O1.37 -","- C18 H18 N2 O1.369 -","- C72 H72 N8 O5.476 -","4","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","1.54184","CuKα","","0.0425","0.0347","","","0.0941","0.1011","","","","","","1.018","","","","has coordinates,has disorder","201704","2020-10-21","18:00:00",""
"1547554","7.3313","0.0002","19.6104","0.0005","15.1854","0.0004","90","","98.05","0.002","90","","2161.69","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 O P -","- C26 H29 O P -","- C104 H116 O4 P4 -","4","1","","Hu, Zhengsong; Tian, Rongqiang; Zhao, Kang; Liu, Yanjie; Duan, Zheng; Mathey, François","Generation and Trapping of a 1-Phosphafulvene: An Illustration of the P═C/C═C Analogy.","Organic letters","2017","19","18","5004","5006","10.1021/acs.orglett.7b02574","","","1.5418","CuKα","","0.0539","0.0503","","","0.1473","0.1529","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547555","5.5574","0.0002","11.2786","0.0004","16.5421","0.0006","90","","99.257","0.001","90","","1023.35","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O3 -","- C23 H23 Br O3 -","- C46 H46 Br2 O6 -","2","1","","Cheng, Yuyu; Han, Yuzhe; Li, Pengfei","Organocatalytic Enantioselective [1 + 4] Annulation of Morita-Baylis-Hillman Carbonates with Electron-Deficient Olefins: Access to Chiral 2,3-Dihydrofuran Derivatives.","Organic letters","2017","19","18","4774","4777","10.1021/acs.orglett.7b02144","","x-ray","1.54178","CuKα","","0.0359","0.0351","","","0.0983","0.099","","","","","","1.133","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547556","9.934","0.002","22.154","0.004","8.9741","0.0018","90","","94.349","0.005","90","","1969.3","0.7","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun","Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.","Organic letters","2017","19","18","4710","4713","10.1021/acs.orglett.7b01960","","","0.71073","MoKα","","0.1387","0.0623","","","0.1459","0.1816","","","","","","0.985","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547557","7.3961","0.0005","14.159","0.002","14.7965","0.001","113.245","0.005","93.815","0.002","94.009","0.004","1412.7","0.2","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 N2 O3 -","- C37 H32 N2 O3 -","- C74 H64 N4 O6 -","2","1","","Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun","Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.","Organic letters","2017","19","18","4710","4713","10.1021/acs.orglett.7b01960","","","1.54178","CuKα","","0.0412","0.0396","","","0.105","0.1067","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547558","9.8615","0.0008","12.1461","0.001","14.1071","0.0012","90","","107.15","0.003","90","","1614.6","0.2","223","2","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Lee, Dabon; Kim, Sang Min; Hirao, Hajime; Hong, Soon Hyeok","Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways.","Organic letters","2017","19","18","4734","4737","10.1021/acs.orglett.7b02022","","","0.71073","MoKα","","0.1047","0.0544","","","0.1104","0.129","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547559","9.82867","0.00019","6.11703","0.00012","11.6406","0.0002","90","","100.472","0.0019","90","","688.2","0.02","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0268","0.0264","","","0.0763","0.0768","","","","","","1.151","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547560","8.22602","0.00016","15.4712","0.0003","10.0483","0.0002","90","","103.364","0.002","90","","1244.18","0.04","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.035","0.0305","","","0.0753","0.0787","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547561","8.1779","0.0002","8.8079","0.0002","15.2085","0.0003","90","","90","","90","","1095.47","0.04","122.99","0.1","122.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Q075","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0258","0.024","","","0.06","0.0611","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547562","16.4819","0.0002","5.7733","0.0001","14.4387","0.0002","90","","106.49","0.001","90","","1317.4","0.03","123","0.1","123","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0738","0.0751","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547563","10.6766","0.0009","10.7779","0.0008","15.8861","0.0009","79.719","0.005","73.665","0.006","77.959","0.007","1701.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Br N4 O3 -","- C40 H35 Br N4 O3 -","- C80 H70 Br2 N8 O6 -","2","1","","Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.","Organic letters","2017","19","18","4714","4717","10.1021/acs.orglett.7b01961","","","0.71073","MoKα","","0.072","0.0502","","","0.1084","0.1201","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547564","9.704","0.003","18.77","0.005","17","0.004","90","","102.647","0.005","90","","3021.3","1.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O2 -","- C39 H34 N4 O2 -","- C156 H136 N16 O8 -","4","1","","Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.","Organic letters","2017","19","18","4714","4717","10.1021/acs.orglett.7b01961","","","0.71073","MoKα","","0.103","0.0785","","","0.1164","0.1241","","","","","","1.208","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547565","8.198","0.003","10.441","0.004","13.934","0.005","101.832","0.007","96.687","0.009","104.041","0.008","1115","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","1","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.1227","0.0843","","","0.2099","0.2298","","","","","","1.342","","","","has coordinates","201716","2020-10-21","18:00:00",""
"1547566","3.8868","0.0003","5.4329","0.0005","10.8693","0.001","90","","97.068","0.005","90","","227.78","0.03","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","1","","Rozen, Shlomo; Shaffer, Avshalom","Synthesis of N,N-Dioxopyridazines.","Organic letters","2017","19","18","4707","4709","10.1021/acs.orglett.7b02310","","","0.71073","MoKα","","0.0316","0.0292","","","0.071","0.0731","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547567","7.8451","0.0004","8.3042","0.0004","11.06","0.0006","76.583","0.002","88.533","0.002","75.925","0.002","679.46","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C30 H28 O6 S2 -","2","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0451","0.0414","","","0.1217","0.1269","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547568","5.7624","0.0001","22.9736","0.0006","9.5587","0.0002","90","","106.003","0.001","90","","1216.37","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O -","- C15 H13 Cl O -","- C60 H52 Cl4 O4 -","4","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0251","0.0244","","","0.0738","0.0749","","","","","","0.661","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547569","10.179","0.017","10.178","0.017","14.35","0.02","95.75","0.012","95.75","0.02","107.27","0.02","1399","4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 P2 S2 -","- C33 H28 P2 S2 -","- C66 H56 P4 S4 -","2","1","","Otomura, Nobutaka; Okugawa, Yuto; Hirano, Koji; Miura, Masahiro","vic-Diphosphination of Alkenes with Silylphosphine under Visible-Light-Promoted Photoredox Catalysis.","Organic letters","2017","19","18","4802","4805","10.1021/acs.orglett.7b02223","","","0.71075","MoKα","","0.0663","0.057","","","0.106","0.1099","","","","","","1.206","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547570","10.1944","0.0002","6.53348","0.00013","13.5748","0.0003","90","","95.12","0.002","90","","900.54","0.03","125","11","125","11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Xu, Bo; Xun, Wen; Wang, Tingzhong; Qiu, Fayang G.","Total Synthesis of (+)-Aplykurodinone-1.","Organic letters","2017","19","18","4861","4863","10.1021/acs.orglett.7b02350","","x-ray","1.54184","CuKα","","0.0467","0.0419","","","0.105","0.1101","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547571","10.8093","0.0007","12.3197","0.0011","14.2754","0.0008","88.759","0.006","86.694","0.005","66.762","0.007","1743.9","0.2","119.97","0.18","119.97","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu N4 O10 -","- C32 H50 Cu N4 O10 -","- C64 H100 Cu2 N8 O20 -","2","1","","Tan, Guangying; Zhang, Luoqiang; Liao, Xingrong; Shi, Yang; Wu, Yimin; Yang, Yudong; You, Jingsong","Copper- or Nickel-Enabled Oxidative Cross-Coupling of Unreactive C(sp(3))-H Bonds with Azole C(sp(2))-H Bonds: Rapid Access to β-Azolyl Propanoic Acid Derivatives.","Organic letters","2017","19","18","4830","4833","10.1021/acs.orglett.7b02265","","x-ray","0.71073","MoKα","","0.1242","0.1055","","","0.2801","0.2911","","","","","","1.126","","","","has coordinates","201722","2020-10-21","18:00:00",""
"1547572","7.4193","0.001","12.1143","0.0013","17.167","0.002","90","","90","","90","","1543","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Br O -","- C17 H23 Br O -","- C68 H92 Br4 O4 -","4","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1005","0.0469","","","0.0795","0.0918","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547573","7.4409","0.0005","10.1018","0.0012","11.3589","0.0009","68.534","0.009","75.635","0.007","69.502","0.009","737.19","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H23 Br -","- C17 H23 Br -","- C34 H46 Br2 -","2","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.0393","0.0314","","","0.073","0.0765","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547574","19.772","0.002","6.1368","0.0007","23.6786","0.0019","90","","94.152","0.008","90","","2865.5","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H21 Br -","- C16 H21 Br -","- C128 H168 Br8 -","8","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1255","0.0557","","","0.0923","0.1114","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547575","11.5902","0.0018","7.8925","0.0011","25.534","0.004","90","","96.954","0.003","90","","2318.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","2","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0868","0.0499","","","0.1151","0.1374","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547576","7.04","0.009","7.063","0.009","10.762","0.013","83.24","0.02","79.64","0.02","79.5","0.02","515.6","1.1","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","1","1","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0835","0.077","","","0.2095","0.2247","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547577","13.7489","0.0006","12.7062","0.0005","34.5595","0.0014","90","","90","","90","","6037.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C37 H26 O2 S -","- C37 H26 O2 S -","- C296 H208 O16 S8 -","8","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0974","0.0561","","","0.1262","0.1424","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547578","11.6687","0.0008","8.3221","0.0005","12.6959","0.0008","90","","101.677","0.002","90","","1207.36","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0386","0.0329","","","0.087","0.092","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547579","5.539","0.0002","15.1853","0.0006","24.1953","0.0012","90","","91.286","0.001","90","","2034.59","0.15","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 O7 -","- C27 H18 O7 -","- C108 H72 O28 -","4","1","","Sasaki, Sayaka; Azuma, Eriko; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Formation of Phenalenone Skeleton by an Unusual Rearrangement Reaction.","Organic letters","2017","19","18","4846","4849","10.1021/acs.orglett.7b02305","","","0.71075","MoKα","","0.107","0.0739","","","0.1825","0.2061","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547580","5.0624","0.0007","10.961","0.003","26.361","0.004","90","","90","","90","","1462.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O3 -","- C15 H20 F N O3 -","- C60 H80 F4 N4 O12 -","4","1","","Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J.","Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile.","Organic letters","2017","19","18","4876","4879","10.1021/acs.orglett.7b02336","","","1.54184","CuKα","","0.1075","0.0859","","","0.206","0.2259","","","","","","1.115","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547581","13.308","0.008","15.883","0.01","19.472","0.013","90","","90","","90","","4116","5","109","","109","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl2 N4 Pd -","- C51 H42 Cl2 N4 Pd -","- C204 H168 Cl8 N16 Pd4 -","4","1","","Nozawa, Ryo; Shinokubo, Hiroshi","Synthesis and Properties of meso-Arylated Corrphycenes.","Organic letters","2017","19","18","4928","4931","10.1021/acs.orglett.7b02390","","","0.71073","MoKα","","0.0351","0.0316","","","0.101","0.1052","","","","","","0.913","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547582","15.3885","0.0017","7.1222","0.0008","30.3","0.004","90","","90","","90","","3320.9","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C152 H152 Br8 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0875","0.0721","","","0.1829","0.1948","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547583","6.1299","0.0002","13.8742","0.0004","15.703","0.0004","90","","90","","90","","1335.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","1.54178","CuKα","","0.0489","0.0485","","","0.1667","0.1679","","","","","","1.1","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547584","13.7527","0.0013","9.8191","0.0009","22.826","0.002","90","","90","","90","","3082.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0432","0.0381","","","0.0967","0.1003","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547585","6.1525","0.0011","9.8018","0.0017","10.5143","0.0019","99.556","0.002","103.113","0.002","102.27","0.002","587.94","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0449","0.0387","","","0.1133","0.118","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547586","13.8893","0.0018","8.4698","0.0011","12.0582","0.0016","90","","107.287","0.002","90","","1354.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0745","0.0485","","","0.122","0.1407","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547587","6.3959","0.0007","8.7834","0.001","17.916","0.002","90","","100.037","0.005","90","","991.08","0.19","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0352","0.0322","","","0.076","0.0779","","","","","","1.048","","","","has coordinates,has disorder","201738","2020-10-21","18:00:00",""
"1547588","6.3983","0.0006","8.7684","0.0009","17.9628","0.0018","90","","99.675","0.005","90","","993.43","0.17","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0454","0.0355","","","0.0818","0.0871","","","","","","1.021","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547589","5.9123","0.0002","16.6068","0.0008","23.602","0.0008","90","","90","","90","","2317.35","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N3 O3 -","- C26 H21 Cl N3 O3 -","- C104 H84 Cl4 N12 O12 -","4","1","","Wang, Jie; Wang, Pengxin; Wang, Linqing; Li, Dan; Wang, Kezhou; Wang, Yuan; Zhu, Haiyong; Yang, Dongxu; Wang, Rui","Nickel-Mediated Asymmetric Allylic Alkylation between Nitroallylic Acetates and Acyl Imidazoles.","Organic letters","2017","19","18","4826","4829","10.1021/acs.orglett.7b02264","","x-ray","0.71073","MoKα","","0.083","0.0577","","","0.1117","0.1287","","","","","","1.054","","","","has coordinates","201740","2020-10-21","18:00:00",""
"1547590","8.8731","0.0013","9.0666","0.0013","15.314","0.002","91.196","0.004","99.999","0.003","115.544","0.003","1088.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-amino-3-(fluoro(trifluoromethoxy)methyl)isoxazole-4-carboxylate","","- C8 H8 F4 N2 O4 -","- C8 H8 F4 N2 O4 -","- C32 H32 F16 N8 O16 -","4","2","","Schmitt, Etienne; Bouvet, Sébastien; Pégot, Bruce; Panossian, Armen; Vors, Jean-Pierre; Pazenok, Sergii; Magnier, Emmanuel; Leroux, Frédéric R","Fluoroalkyl Amino Reagents for the Introduction of the Fluoro(trifluoromethoxy)methyl Group onto Arenes and Heterocycles.","Organic letters","2017","19","18","4960","4963","10.1021/acs.orglett.7b02444","","","0.71073","MoKα","","0.2389","0.1115","","","0.1872","0.231","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547599","9.4767","0.0016","15.378","0.002","10.8957","0.0019","90","","111.006","0.003","90","","1482.3","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O2 -","- C19 H17 Fe N O2 -","- C76 H68 Fe4 N4 O8 -","4","1","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0299","0.028","","","0.0708","0.0725","","","","","","1.042","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547600","6.067","0.004","13.753","0.01","17.502","0.012","90","","99.914","0.009","90","","1438.6","1.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe N O3 -","- C18 H13 Fe N O3 -","- C72 H52 Fe4 N4 O12 -","4","1","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0291","0.0263","","","0.0736","0.0754","","","","","","1.058","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547601","19.945","0.004","8.3402","0.0018","17.264","0.004","90","","91.165","0.005","90","","2871.2","1.1","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C152 H136 Fe8 N8 O8 -","8","2","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0302","0.0251","","","0.067","0.0691","","","","","","1.028","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547602","5.5743","0.0006","8.0878","0.0011","12.3099","0.0011","107.2","0.01","93.657","0.008","103.638","0.01","509.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F2 N O2 -","- C11 H9 F2 N O2 -","- C22 H18 F4 N2 O4 -","2","1","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.0714","0.0557","","","0.1323","0.1474","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547603","9.715","0.004","9.964","0.004","21.348","0.007","90.371","0.006","94.727","0.007","104.841","0.005","1989.9","1.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F3 N O2 -","- C24 H20 F3 N O2 -","- C96 H80 F12 N4 O8 -","4","2","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.1094","0.0913","","","0.1271","0.1329","","","","","","1.301","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547604","15.9119","0.0006","15.9119","0.0006","20.3939","0.0014","90","","90","","120","","4471.7","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C9 H7 F2 N O4 -","- C9 H7 F2 N O4 -","- C162 H126 F36 N18 O72 -","18","3","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.102","0.079","","","0.2404","0.274","","","","","","0.993","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547605","12.455","0.005","6.376","0.002","16.642","0.006","90","","96.688","0.004","90","","1312.6","0.8","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N O4 -","- C13 H12 F3 N O4 -","- C52 H48 F12 N4 O16 -","4","1","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.0562","0.0516","","","0.1219","0.1251","","","","","","1.172","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547606","11.7846","0.0012","6.1519","0.0006","8.0708","0.0008","90","","92.61","0.007","90","","584.51","0.1","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","","Murai, Masahito; Iba, Shinji; Ota, Hiromi; Takai, Kazuhiko","Azulene-Fused Linear Polycyclic Aromatic Hydrocarbons with Small Bandgap, High Stability, and Reversible Stimuli Responsiveness.","Organic letters","2017","19","20","5585","5588","10.1021/acs.orglett.7b02729","","","0.71075","MoKα","","0.0998","0.0837","","","0.1826","0.1917","","","","","","1.134","","","","has coordinates","202835","2020-10-21","18:00:00",""
"1547611","7.7292","0.0009","25.126","0.003","9.073","0.0013","90","","110.817","0.011","90","","1647","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0287","0.0245","","","0.0588","0.0608","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547612","5.8811","0.0002","13.6299","0.0004","18.7137","0.0006","90","","90","","90","","1500.07","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0295","0.0278","","","0.0698","0.0711","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547613","8.6567","0.0002","13.8347","0.0004","25.4021","0.0006","90","","90","","90","","3042.23","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C144 H120 Br8 O16 -","8","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0601","0.0375","","","0.0674","0.0747","","","","","","0.98","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547614","31.8047","0.001","31.8047","0.001","11.8143","0.0005","90","","90","","120","","10349.5","0.6","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H21 N O5 -","- C25 H20.5 N O5 -","- C450 H369 N18 O90 -","18","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0566","0.0554","","","0.1568","0.1593","","","","","","1.07","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547615","12.1851","0.0016","15.4614","0.0018","17.05","0.002","90","","102.559","0.004","90","","3135.3","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Cl7 N O -","- C33 H20 Cl7 N O -","- C132 H80 Cl28 N4 O4 -","4","1","","Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K.","Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes.","Organic letters","2017","19","20","5665","5668","10.1021/acs.orglett.7b02824","","","0.71073","MoKα","","0.082","0.0701","","","0.1997","0.213","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547616","10.19","0.002","17.463","0.003","9.5878","0.0015","90","","106.025","0.006","90","","1639.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K.","Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes.","Organic letters","2017","19","20","5665","5668","10.1021/acs.orglett.7b02824","","","0.71073","MoKα","","0.1205","0.0578","","","0.1068","0.1283","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547639","7.426","0.0017","11.292","0.003","20.718","0.005","90","","90","","90","","1737.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines.","Organic letters","2017","19","20","5601","5604","10.1021/acs.orglett.7b02737","","","0.71073","MoKα","","0.0462","0.0408","","","0.0981","0.1013","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547640","6.8929","0.0003","7.6318","0.0003","19.0999","0.0009","100.04","0.002","92.095","0.002","110.687","0.002","920.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KSH-2428","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","1","","Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes.","Organic letters","2017","19","20","5677","5680","10.1021/acs.orglett.7b02826","","","0.71073","","","0.0822","0.0551","","","0.1559","0.178","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547641","9.125","0.0015","11.0174","0.0015","11.6902","0.0015","102.952","0.0014","102.365","0.0009","105.581","0.0014","1055.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KSH-2849","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes.","Organic letters","2017","19","20","5677","5680","10.1021/acs.orglett.7b02826","","","0.71073","","","0.1116","0.0588","","","0.1346","0.1637","","","","","","1.026","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547663","9.1345","0.0004","14.6643","0.0007","18.0325","0.0008","92.023","0.0006","96.2988","0.0006","105.032","0.0006","2313.62","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Br N3 P -","- C23 H31 Br N3 P -","- C92 H124 Br4 N12 P4 -","4","2","","Tien, Chieh-Hung; Adams, Matt R.; Ferguson, Michael J.; Johnson, Erin R.; Speed, Alexander W. H.","Hydroboration Catalyzed by 1,2,4,3-Triazaphospholenes.","Organic letters","2017","19","20","5565","5568","10.1021/acs.orglett.7b02695","","","0.71073","MoKα","","0.0439","0.0318","","","0.0745","0.0795","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547664","13.7185","0.0002","20.7124","0.0003","20.7597","0.0003","90","","90","","90","","5898.72","0.15","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H48 O3 -","- C29 H48 O3 -","- C232 H384 O24 -","8","2","","Wang, Chao; Huo, Xiao-Kui; Luan, Zhi-Lin; Cao, Fei; Tian, Xiang-Ge; Zhao, Xin-Yu; Sun, Cheng-Peng; Feng, Lei; Ning, Jing; Zhang, Bao-Jing; Ma, Xiao-Chi","Alismanin A, a Triterpenoid with a C34 Skeleton from Alisma orientale as a Natural Agonist of Human Pregnane X Receptor.","Organic letters","2017","19","20","5645","5648","10.1021/acs.orglett.7b02738","","x-ray","1.54184","CuKα","","0.1013","0.0966","","","0.2569","0.2612","","","","","","1.071","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547665","17.226","0.003","22.283","0.005","24.02","0.005","117.27","0.03","92.88","0.03","96.46","0.03","8089","4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C150 H138 N14 O6 -","- C150 H138 N14 O6 -","- C300 H276 N28 O12 -","2","1","","Hwang, Ji Young; Jeon, Hae-Geun; Choi, Ye Rin; Kim, Junyoung; Kang, Philjae; Lee, Seungwon; Jeong, Kyu-Sung","Aromatic Hybrid Foldamer with a Hydrophilic Helical Cavity Capable of Encapsulating Glucose.","Organic letters","2017","19","20","5625","5628","10.1021/acs.orglett.7b02768","","","0.7","synchrotron","","0.1629","0.0969","","","0.2701","0.311","","","","","","0.975","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547666","16.625","0.003","13.626","0.003","10.32","0.002","90","","92.77","0.03","90","","2335.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N16 O2 -","- C18 H22 N16 O2 -","- C72 H88 N64 O8 -","4","1","","Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazoles and Related Conformational Studies.","Organic letters","2017","19","20","5509","5512","10.1021/acs.orglett.7b02557","","","0.7","synchrotron","","0.1051","0.0883","","","0.2532","0.2674","","","","","","1.046","","","","has coordinates","202836","2020-10-21","18:00:00",""
"1547667","8.7126","0.0009","5.5052","0.0006","14.9132","0.0018","90","","101.476","0.008","90","","701.01","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N12 -","- C12 H12 N12 -","- C24 H24 N24 -","2","0.5","","Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazoles and Related Conformational Studies.","Organic letters","2017","19","20","5509","5512","10.1021/acs.orglett.7b02557","","","0.71073","MoKα","","0.208","0.0723","","","0.1333","0.1881","","","","","","0.9","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547668","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C.","Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles.","Organic letters","2017","19","20","5505","5508","10.1021/acs.orglett.7b02552","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547673","8.2595","0.0007","10.2305","0.0008","10.237","0.0006","98.393","0.006","113.578","0.007","95.939","0.007","771.71","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N3 O0.5 S -","- C18 H14 N3 O0.5 S -","- C36 H28 N6 O S2 -","2","1","","Ramanathan, Mani; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of Substituted Quinazolin-4(3H)-imines From Aryldiazonium Salts, Nitriles and 2-Cyanoanilines via A Metal-Free Tandem Approach.","Organic letters","2017","19","21","5840","5843","10.1021/acs.orglett.7b02822","","","1.54178","CuKα","","0.0726","0.0536","","","0.1469","0.1678","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547674","8.2205","0.0003","11.1612","0.0007","11.4544","0.0006","106.106","0.005","97.928","0.004","93.594","0.004","994.4","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cl O2 P -","- C26 H16 Cl O2 P -","- C52 H32 Cl2 O4 P2 -","2","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","x-ray","1.54184","CuKα","","0.0499","0.0405","","","0.1043","0.113","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547675","12.3745","0.0004","13.9516","0.0005","15.5108","0.0006","90.361","0.003","108.098","0.003","97.969","0.003","2517.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 O P -","- C33 H25 O P -","- C132 H100 O4 P4 -","4","2","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","x-ray","0.71073","MoKα","","0.1151","0.0759","","","0.1871","0.2119","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547676","9.6822","0.0006","10.6345","0.0005","11.7489","0.0008","97.498","0.005","106.46","0.006","93.254","0.005","1144.63","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl2 O P -","- C26 H21 Cl2 O P -","- C52 H42 Cl4 O2 P2 -","2","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","","1.54184","CuKα","","0.0578","0.0453","","","0.1189","0.1287","","","","","","1.037","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547677","9.4124","0.0003","14.7338","0.0005","14.2292","0.0005","90","","90.71","0.001","90","","1973.16","0.12","170","2","169.72","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P -","- C26 H18 Cl O P -","- C104 H72 Cl4 O4 P4 -","4","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","","1.54178","CuKα","","0.0293","0.0286","","","0.0765","0.077","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547678","11.8722","0.0004","8.4475","0.0004","26.7964","0.001","90","","90","","90","","2687.42","0.19","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing","Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines.","Organic letters","2017","19","21","5896","5899","10.1021/acs.orglett.7b02885","","","0.71073","MoKα","","0.1499","0.0807","","","0.1713","0.2156","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547695","8.5985","0.0002","8.9813","0.0002","10.1508","0.0002","113.998","0.002","91.78","0.002","111.582","0.002","650.7","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-iodo-2-((2-methoxyethoxy)methyl)-2,7-naphthyridin-1(2H)-one","","- C12 H13 I N2 O3 -","- C12 H13 I N2 O3 -","- C24 H26 I2 N4 O6 -","2","1","","Ziegler, Dorothée S; Greiner, Robert; Lumpe, Henning; Kqiku, Laura; Karaghiosoff, Konstantin; Knochel, Paul","Directed Zincation or Magnesiation of the 2-Pyridone and 2,7-Naphthyridone Scaffold Using TMP Bases.","Organic letters","2017","19","21","5760","5763","10.1021/acs.orglett.7b02690","","","0.71073","MoKα","","0.0253","0.0214","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547696","7.854","0.004","11.693","0.005","18.074","0.008","90","","90","","90","","1659.9","1.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 I N2 O4 -","- C18 H13 I N2 O4 -","- C72 H52 I4 N8 O16 -","4","1","","Toda, Yasunori; Gomyou, Shuto; Tanaka, Shoya; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Synthesis of Oxazolidinones from Isocyanates and Epoxides.","Organic letters","2017","19","21","5786","5789","10.1021/acs.orglett.7b02722","","","0.71073","MoKα","","0.0222","0.02","","","0.0441","0.0451","","","","","","1.164","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547697","7.79","0.0006","9.6934","0.0009","18.868","0.0013","84.627","0.001","84.464","0.001","67.565","0.001","1308.27","0.18","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Br O5 Si -","- C26 H37 Br O5 Si -","- C52 H74 Br2 O10 Si2 -","2","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0363","0.0305","","","0.0715","0.0741","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547698","9.9141","0.0005","18.7872","0.0009","10.6013","0.0005","90","","91.608","0.001","90","","1973.8","0.17","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C84 H100 Br4 O16 -","4","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0264","0.0235","","","0.0582","0.0596","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547699","7.5249","0.0004","10.273","0.0005","15.343","0.0008","104.399","0.001","103.098","0.001","95.903","0.001","1102.87","0.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 Br O3 Si -","- C20 H35 Br O3 Si -","- C40 H70 Br2 O6 Si2 -","2","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0275","0.0256","","","0.0642","0.0653","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547700","9.8218","0.0007","12.5329","0.0011","12.4155","0.0009","90","","90","","90","","1528.3","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H20 F2 O2 -","- C17 H20 F2 O2 -","- C68 H80 F8 O8 -","4","1","","Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi","Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids.","Organic letters","2017","19","21","5900","5903","10.1021/acs.orglett.7b02899","","","0.71073","MoKα","","0.0546","0.0422","","","0.1014","0.1085","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547701","5.8465","0.0001","9.7587","0.0002","9.8846","0.0002","89.343","0.0011","87.738","0.0012","86.3034","0.0012","562.324","0.019","100","","100","","","","","","","","","5","P 1","P 1","1","166HC","","","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","1","1","","Horwitz, Matthew A.; Fulton, Jennifer L.; Johnson, Jeffrey S.","Enantio- and Diastereoselective Organocatalytic Conjugate Additions of Nitroalkanes to Enone Diesters.","Organic letters","2017","19","21","5783","5785","10.1021/acs.orglett.7b02735","","","0.71073","MoKα","","0.028","0.0253","","","0.0493","0.05","","","","","","0.879","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547702","9.7097","0.0002","12.1431","0.0003","12.8881","0.0004","90","","90","","90","","1519.58","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Chen, Keliang; Zhang, Xuwen; Sun, Weiguang; Liu, Junjun; Yang, Jing; Chen, Chunmei; Liu, Xiulan; Gao, Limin; Wang, Jianping; Li, Hua; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.","Organic letters","2017","19","21","5956","5959","10.1021/acs.orglett.7b02955","","","1.54178","CuKα","","0.0356","0.0355","","","0.0963","0.0964","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547703","21.597","0.004","7.285","0.0015","16.615","0.003","90","","90","","90","","2614.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Cl3 Ir N4 -","- C24 H25 Cl3 Ir N4 -","- C96 H100 Cl12 Ir4 N16 -","4","1","","Liang, Ran; Li, Shun; Wang, Rongzhou; Lu, Lei; Li, Feng","N-Methylation of Amines with Methanol Catalyzed by a Cp*Ir Complex Bearing a Functional 2,2'-Bibenzimidazole Ligand.","Organic letters","2017","19","21","5790","5793","10.1021/acs.orglett.7b02723","","","0.71073","MoKα","","0.0727","0.0497","","","0.0962","0.1065","","","","","","1.001","","","","has coordinates","202861","2020-10-21","18:00:00",""
"1547704","10.2354","0.001","14.6975","0.0011","16.2321","0.0013","90","","90","","90","","2441.9","0.4","299.6","0.8","299.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O7 S -","- C27 H20 O7 S -","- C108 H80 O28 S4 -","4","1","","Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V.","Stereoselective Epimerizations of Glycosyl Thiols.","Organic letters","2017","19","21","5802","5805","10.1021/acs.orglett.7b02760","","","0.71073","MoKα","","0.0776","0.0496","","","0.1235","0.1405","","","","","","1.015","","","","has coordinates","202867","2020-10-21","18:00:00",""
"1547726","10.0478","0.0018","10.1851","0.0017","10.8815","0.0019","95.641","0.004","114.147","0.004","108.576","0.004","929","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N O4 -","- C18 H29 N O4 -","- C36 H58 N2 O8 -","2","1","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.1297","0.0911","","","0.2214","0.2484","","","","","","1.05","","","","has coordinates","202844","2020-10-21","18:00:00",""
"1547727","21.142","0.004","9.442","0.002","14.826","0.003","90","0.03","90","0.03","90","0.03","2959.6","1","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-methoxyphenyl)-2,3,6-trimethylpiperidin-1-ium chloride","","- C15 H24 Cl N O -","- C15 H24 Cl N O -","- C120 H192 Cl8 N8 O8 -","8","2","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.0498","0.0354","","","0.0676","0.073","","","","","","0.982","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547728","8.3542","0.0012","11.7504","0.0015","11.9494","0.0015","102.671","0.004","106.404","0.004","97.121","0.004","1076","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C56 H42 N6 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides: Synthesis of Isoindolone Spirosuccinimides.","Organic letters","2017","19","21","5884","5887","10.1021/acs.orglett.7b02873","","","0.71073","MoKα","","0.0875","0.0471","","","0.1199","0.1479","","","","","","0.878","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547729","9.49772","0.00017","7.06251","0.00013","13.2196","0.0002","90","","104.074","0.0019","90","","860.13","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N3 O4 P -","- C18 H18 N3 O4 P -","- C36 H36 N6 O8 P2 -","2","1","","Huang, Nan; Zou, Liangliang; Peng, Yungui","Enantioselective 1,3-Dipolar Cycloaddition of Methyleneindolinones with α-Diazomethylphosphonate to Access Chiral Spiro-phosphonylpyrazoline-oxindoles Catalyzed by Tertiary Amine Thiourea and 1,5-Diazabicyclo[4.3.0]non-5-ene.","Organic letters","2017","19","21","5806","5809","10.1021/acs.orglett.7b02763","","x-ray","1.54184","CuKα","","0.0413","0.0408","","","0.1081","0.1091","","","","","","0.915","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547732","9.0699","0.0011","13.9562","0.0014","17.516","0.002","88.185","0.018","78.4","0.02","72.259","0.015","2067.6","0.5","93","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","2","","Nagamoto, Midori; Fukuda, Jun-Ichi; Hatano, Miyuki; Yorimitsu, Hideki; Nishimura, Takahiro","Hydroxoiridium-Catalyzed Hydroarylation of Alkynes and Bicycloalkenes with N-Sulfonylbenzamides.","Organic letters","2017","19","21","5952","5955","10.1021/acs.orglett.7b02950","","","1.54187","CuKα","","0.0345","0.0308","","","0.0823","0.0842","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547733","7.7485","0.0019","8.638","0.002","11.316","0.003","78.953","0.004","72.382","0.003","65.252","0.003","653.7","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C36 H28 O4 -","2","1","","Fan, Jinming; Wang, Tao; Li, Chenchen; Wang, Rui; Lei, Xiaoyu; Liang, Yong; Zhang, Zunting","Synthesis of Benzoaryl-5-yl(2-hydroxyphenyl)methanones via Photoinduced Rearrangement of (E)-3-Arylvinyl-4H-chromen-4-ones.","Organic letters","2017","19","21","5984","5987","10.1021/acs.orglett.7b03007","","","0.71073","MoKα","","0.0485","0.0413","","","0.1234","0.1315","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547734","17.5556","0.0005","17.5556","0.0005","14.122","0.0007","90","","90","","90","","4352.4","0.3","100","","100","","","","","","","","","4","I -4","I -4","82","","","","- C24 H30 N4 O2 -","- C24 H30 N4 O2 -","- C192 H240 N32 O16 -","8","1","","Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen","Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis.","Organic letters","2017","19","21","5868","5871","10.1021/acs.orglett.7b02846","","x-ray","1.54184","CuKα","","0.0455","0.0436","","","0.1245","0.1266","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547735","9.9109","0.0012","17.7633","0.0017","10.9397","0.0012","90","","100.598","0.011","90","","1893.1","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0931","0.0592","","","0.1393","0.1644","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547736","7.459","0.0006","15.314","0.0013","11.5062","0.0013","90","","91.057","0.008","90","","1314.1","0.2","170.1","","170.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1095","0.0919","","","0.2381","0.2705","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547737","12.1961","0.0013","9.8018","0.0011","19.978","0.002","90","","97.063","0.011","90","","2370.1","0.4","293","2","293.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C108 H124 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0809","0.0611","","","0.133","0.1479","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547738","8.5401","0.0006","11.6431","0.0012","19.9467","0.0016","90","","98.271","0.007","90","","1962.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1099","0.0744","","","0.192","0.2258","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547739","8.3616","0.0001","8.7783","0.0001","19.3853","0.0003","90","","90","","90","","1422.89","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0298","0.0294","","","0.0801","0.0804","","","","","","1.152","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547740","16.1365","0.0006","7.3743","0.0003","11.6885","0.0005","90","","103.14","0.004","90","","1354.46","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F O2 -","- C18 H13 F O2 -","- C72 H52 F4 O8 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0553","0.0525","","","0.1456","0.1499","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547741","8.6474","0.0005","9.0011","0.0006","11.6253","0.0006","92.573","0.005","94.393","0.005","91.114","0.005","901.06","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.05","0.0479","","","0.132","0.1338","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547742","14.4968","0.0008","10.5034","0.0006","15.0275","0.0008","90","","111.709","0.002","90","","2125.9","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C100 H92 N4 O8 S4 -","4","1","","Wen, Jian; Cheng, Hanchao; Raabe, Gerhard; Bolm, Carsten","Rhodium-Catalyzed [4 + 3] Annulations of Sulfoximines with α,β-Unsaturated Ketones Leading to 1,2-Benzothiazepine 1-Oxides.","Organic letters","2017","19","21","6020","6023","10.1021/acs.orglett.7b03106","","","1.54178","CuKα","","0.046","0.045","","0.046","","0.046","","","0.995","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547760","7.925","0.0004","12.5953","0.0005","15.5199","0.0006","87.325","0.001","87.557","0.001","87.368","0.001","1544.57","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N3 O3 -","- C43 H29 N3 O3 -","- C86 H58 N6 O6 -","2","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.083","0.0462","","","0.0982","0.1172","","","","","","1.044","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547761","33.542","0.003","10.9252","0.0009","25.824","0.002","90","","124.876","0.002","90","","7763.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H24 F5 O5 Re S -","- C46 H24 F5 N2 O3 Re S -","- C368 H192 F40 N16 O24 Re8 S8 -","8","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.0305","0.0286","","","0.0725","0.0746","","","","","","1.042","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547762","10.5547","0.0013","13.5822","0.0019","17.121","0.003","107.906","0.005","102.148","0.005","104.773","0.004","2144.2","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 N3 O6 Re -","- C46 H28 N3 O6 Re -","- C92 H56 N6 O12 Re2 -","2","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.0329","0.0262","","","0.0577","0.0603","","","","","","1.04","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547763","30.947","0.002","10.5971","0.001","22.6459","0.0017","90","","107.749","0.008","90","","7073.2","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H25 F5 N2 S -","- C43 H25 F5 N2 S -","- C344 H200 F40 N16 S8 -","8","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","x-ray","1.54184","CuKα","","0.2514","0.1596","","","0.3817","0.4582","","","","","","1.087","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547765","14.578","0.002","13.1698","0.0017","19.698","0.003","90","","106.053","0.007","90","","3634.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 F2 N4 O12.5 -","- C28 H42 F2 N4 O12.5 -","- C112 H168 F8 N16 O50 -","4","2","","Burade, Sachin S.; Saha, Tanmoy; Bhuma, Naresh; Kumbhar, Navanath; Kotmale, Amol; Rajamohanan, Pattuparambil R.; Gonnade, Rajesh G.; Talukdar, Pinaki; Dhavale, Dilip D.","Self-Assembly of Fluorinated Sugar Amino Acid Derived α,γ-Cyclic Peptides into Transmembrane Anion Transport.","Organic letters","2017","19","21","5948","5951","10.1021/acs.orglett.7b02942","","","1.54178","CuKα","","0.1728","0.1345","","","0.3783","0.4271","","","","","","1.497","","","","has coordinates,has disorder","202864","2020-10-21","18:00:00",""
"1547766","11.3088","0.0007","13.4942","0.0007","27.4368","0.0013","90","","90","","90","","4186.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl0 N2 O5 S -","- C24 H20 N2 O5 S -","- C192 H160 N16 O40 S8 -","8","1","","Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids.","Organic letters","2017","19","21","5764","5767","10.1021/acs.orglett.7b02697","","x-ray","0.71073","MoKα","","0.089","0.0618","","","0.144","0.1649","","","","","","1.053","","","","has coordinates","202869","2020-10-21","18:00:00",""
"1547781","9.6502","0.0002","10.1186","0.0001","9.806","0.0002","90","","112.655","0.002","90","","883.64","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Wang, Xu; Xiong, Wenfang; Huang, Yubing; Zhu, Jiayi; Hu, Qiong; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Synthesis of 1H-Indenes and Phthalimides via Isocyanide Insertion.","Organic letters","2017","19","21","5818","5821","10.1021/acs.orglett.7b02771","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.082","0.0833","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547782","9.974","0.003","14.056","0.004","14.062","0.004","83.992","0.005","88.531","0.005","73.514","0.005","1880","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl2 N3 O4 S2 -","- C33 H31 Cl2 N3 O4 S2 -","- C66 H62 Cl4 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.1005","0.0657","","","0.2033","0.2365","","","","","","0.976","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547783","7.9678","0.0018","10.943","0.003","15.044","0.004","90","","95.755","0.004","90","","1305.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 S2 -","- C27 H29 N3 O4 S2 -","- C54 H58 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.0867","0.0514","","","0.106","0.1281","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547784","6.1589","0.0006","7.3312","0.0008","38.746","0.004","90","","90","","90","","1749.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.0464","0.0318","","","0.0552","0.0581","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547785","12.7986","0.001","16.9506","0.0016","10.2527","0.001","90","","108.443","0.003","90","","2110","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br F N2 O2 -","- C25 H16 Br F N2 O2 -","- C100 H64 Br4 F4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.1231","0.0589","","","0.0892","0.1054","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547786","12.624","","8.002","","19.474","","90","","96.48","","90","","1954.64","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Xia, Jintao; Kong, Lingheng; Zhou, Xukai; Zheng, Guangfan; Li, Xingwei","Access to Substituted Propenoic Acids via Rh(III)-Catalyzed C-H Allylation of (Hetero)Arenes with Methyleneoxetanones.","Organic letters","2017","19","21","5972","5975","10.1021/acs.orglett.7b02983","","","0.71073","MoKα","","0.1258","0.092","","","0.2606","0.2959","","","","","","1.094","","","","has coordinates","202847","2020-10-21","18:00:00",""
"1547787","13.2977","0.0002","5.57216","0.0001","25.8974","0.0005","90","","103.075","0.0007","90","","1869.17","0.06","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 O -","- C23 H19 F3 O -","- C92 H76 F12 O4 -","4","1","","Horino, Yoshikazu; Sugata, Miki; Mutsuura, Itaru; Tomohara, Keisuke; Abe, Hitoshi","Controllable Stereoselective Synthesis of (Z)- and (E)-Homoallylic Alcohols Using a Palladium-Catalyzed Three-Component Reaction.","Organic letters","2017","19","21","5968","5971","10.1021/acs.orglett.7b02979","","","1.54187","CuKα","","0.0493","0.0439","","","0.119","0.1253","","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547788","15.0345","0.0017","7.8241","0.0007","24.411","0.002","90","","100.874","0.004","90","","2819.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 Fe N2 O -","- C34 H26 Cl2 Fe N2 O -","- C136 H104 Cl8 Fe4 N8 O4 -","4","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.1802","0.0751","","","0.0873","0.1088","","","","","","1.024","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547789","12.674","0.0006","12.6962","0.0007","13.5789","0.0008","68.465","0.002","64.191","0.002","88.015","0.002","1809.18","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Fe N2 O -","- C44 H48 Fe N2 O -","- C88 H96 Fe2 N4 O2 -","2","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.0989","0.0664","","","0.1419","0.157","","","","","","1.029","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547790","7.3942","0.0006","18.6187","0.0013","20.9626","0.0017","90","","94.192","0.003","90","","2878.2","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Fe I2 N2 O -","- C34 H26 Fe I2 N2 O -","- C136 H104 Fe4 I8 N8 O4 -","4","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.1299","0.0689","","","0.1199","0.1391","","","","","","1.067","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547791","9.3208","0.0004","12.8006","0.0006","19.003","0.0009","90","","90","","90","","2267.28","0.18","290.64","0.1","290.64","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O3 -","- C26 H22 Br N3 O3 -","- C104 H88 Br4 N12 O12 -","4","1","","Zhang, Qian; Guo, Songsong; Yang, Jian; Yu, Kunru; Feng, Xiaoming; Lin, Lili; Liu, Xiaohua","Asymmetric Formal [3 + 2]-Cycloaddition of Azomethine Imines with Azlactones To Synthesize Bicyclic Pyrazolidinones.","Organic letters","2017","19","21","5826","5829","10.1021/acs.orglett.7b02772","","x-ray","1.54184","CuKα","","0.048","0.0469","","","0.1198","0.1214","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547800","7.3285","0.0002","9.4849","0.0002","40.0645","0.0008","90","","90","","90","","2784.89","0.11","291","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl Fe N2 -","- C27 H23 Cl Fe N2 -","- C108 H92 Cl4 Fe4 N8 -","4","1","","Chen, Zhixiong; Han, Lu; Tian, Shi-Kai","Activation and Substitution of 1-Ferrocenylalkylamines with Allenones: Application to Three-Component Synthesis of 4-(1-Ferrocenylalkyl)pyrazoles.","Organic letters","2017","19","21","5852","5855","10.1021/acs.orglett.7b02830","","","1.54184","CuKα","","0.0855","0.0708","","","0.1946","0.209","","","","","","1.064","","","","has coordinates","202857","2020-10-21","18:00:00",""
"1547801","12.931","0.005","10.477","0.004","18.151","0.007","90","","90","","90","","2459.1","1.6","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I O2 Se -","- C11 H11 I O2 Se -","- C88 H88 I8 O16 Se8 -","8","1","","Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C.","Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate.","Organic letters","2017","19","21","5748","5751","10.1021/acs.orglett.7b02571","","","0.71073","MoKα","","0.0654","0.0452","","","0.136","0.1517","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547806","15.066","0.002","8.9311","0.0015","18.428","0.003","90","","109.998","0.005","90","","2330.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br F3 O2 -","- C27 H20 Br F3 O2 -","- C108 H80 Br4 F12 O8 -","4","2","","Zhang, Junyou; Wu, Hai-Hong; Zhang, Junliang","Enantioselective Phosphine-Catalyzed Allylic Alkylations of mix-Indene with MBH Carbonates.","Organic letters","2017","19","22","6080","6083","10.1021/acs.orglett.7b02895","","","0.71073","MoKα","","0.1082","0.0459","","","0.0709","0.0904","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547820","11.4981","0.0006","8.6697","0.0004","19.4068","0.0011","90","","94.782","0.002","90","","1927.83","0.17","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B.","Organic letters","2017","19","22","6152","6155","10.1021/acs.orglett.7b03030","","","0.71073","MoKα","","0.0512","0.0397","","","0.0843","0.0886","","","","","","1.167","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547821","16.581","0.003","10.7796","0.0019","17.25","0.003","90","","102.204","0.007","90","","3013.5","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B.","Organic letters","2017","19","22","6152","6155","10.1021/acs.orglett.7b03030","","","0.71073","MoKα","","0.1131","0.0872","","","0.2361","0.2519","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547822","6.538","0.002","16.718","0.006","13.471","0.005","90","","90.09","0.008","90","","1472.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B O4 -","- C16 H19 B O4 -","- C64 H76 B4 O16 -","4","1","","Murai, Masahito; Mizuta, Chisato; Taniguchi, Ryuji; Takai, Kazuhiko","Synthesis of Borylcyclopropanes by Chromium-Promoted Cyclopropanation of Unactivated Alkenes.","Organic letters","2017","19","22","6104","6107","10.1021/acs.orglett.7b02956","","","0.71075","MoKα","","0.0905","0.0837","","","0.2473","0.2507","","","","","","1.12","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547823","19.911","0.01","5.551","0.003","30.35","0.02","90","","95.908","0.008","90","","3337","3","110","2","110","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C16 H26.5 O7.25 -","- C16 H26.5 O7.25 -","- C128 H212 O58 -","8","2","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.0694","0.053","","","0.1138","0.1229","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547824","10.02693","0.00017","11.10793","0.00017","14.3797","0.0003","90","","90","","90","","1601.59","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 I O5 -","- C15 H25 I O5 -","- C60 H100 I4 O20 -","4","1","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.024","0.0238","","","0.0612","0.0613","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547825","10.697","0.005","9.009","0.004","16.863","0.009","90","","106.217","0.008","90","","1560.4","1.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","","0.0365","","","","0.1036","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547826","14.411","0.003","12.274","0.003","13.749","0.003","90","","112.87","0.002","90","","2240.8","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0386","","","","0.0917","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547827","9.304","0.005","10.764","0.006","11.843","0.006","98.386","0.007","96.739","0.006","109.699","0.006","1086.9","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0486","","","","0.1207","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547828","8.72","0.002","21.854","0.005","13.387","0.004","90","","104.956","0.005","90","","2464.7","1.1","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","0.0479","0.0412","","","0.095","0.0998","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547829","9.377","0.002","10.292","0.002","12.467","0.004","75.494","0.017","70.702","0.016","64.502","0.015","1016.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O8 -","- C22 H22 N2 O8 -","- C44 H44 N4 O16 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","","0.0594","","","","0.1719","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547830","11.1174","0.001","8.648","0.007","14.313","0.013","90","","92.161","0.016","90","","1375.1","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0841","","","","0.2447","","","","","","0.981","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547831","10.5546","0.0003","22.9756","0.0009","13.1098","0.0005","90","","98.657","0.003","90","","3142.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C136 H160 O24 S8 -","8","2","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","x-ray","0.71073","MoKα","","0.0641","0.0448","","","0.1254","0.1641","","","","","","1.147","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547832","11.018","0.011","11.202","0.011","12.907","0.011","76.79","0.04","79.73","0.04","84.52","0.04","1524","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","0.0949","0.0691","","","0.1435","0.1587","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547833","11.246","0.0011","11.3077","0.0018","11.3931","0.0019","86.918","0.011","62.751","0.006","68.161","0.009","1183.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0547","","","","0.1809","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547834","11.5447","0.0007","17.0612","0.0009","12.493","0.0008","90","","113.393","0.007","90","","2258.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O5 S -","- C24 H29 N O5 S -","- C96 H116 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","x-ray","0.71073","MoKα","","0.0749","0.0576","","","0.1417","0.1548","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547841","10.0991","0.0016","10.6816","0.0013","11.0208","0.0011","61.574","0.008","78.04","0.013","87.766","0.014","1020.4","0.2","133","2","133.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C46 H48 N4 O10 -","2","1","","Xie, Jialin; Huang, Yuanqiong; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin","Copper-Catalyzed Aerobic Oxidative [2 + 3] Cyclization/Aromatization Cascade Reaction: Atom-Economical Access to Tetrasubstituted 4,5-Biscarbonyl Imidazoles.","Organic letters","2017","19","22","6056","6059","10.1021/acs.orglett.7b02767","","","0.71073","MoKα","","0.0619","0.055","","","0.1536","0.1608","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547842","18.8797","0.0007","13.6265","0.0005","24.4476","0.0008","90","","94.0494","0.0011","90","","6273.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 I N3 O3 -","- C37 H32 I N3 O3 -","- C296 H256 I8 N24 O24 -","8","1","","Balalaie, Saeed; Mirzaie, Sattar; Nikbakht, Ali; Hamdan, Fatima; Rominger, Frank; Navari, Razieh; Bijanzadeh, Hamid Reza","Indium-Catalyzed Intramolecular Hydroamidation of Alkynes: An Exo-Dig Cyclization for the Synthesis of Pyranoquinolines through Post-Transformational Reaction.","Organic letters","2017","19","22","6124","6127","10.1021/acs.orglett.7b02603","","","0.71073","MoKα","","0.088","0.0513","","","0.1113","0.1271","","","","","","1.014","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547859","10.817","0.0004","11.6749","0.0005","16.4638","0.0006","97.305","0.002","96.365","0.002","108.875","0.002","1925.64","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","2","","Modi, Anju; Sau, Prasenjit; Patel, Bhisma K.","Base-Promoted Synthesis of Quinoline-4(1H)-thiones from o-Alkynylanilines and Aroyl Isothiocyanates.","Organic letters","2017","19","22","6128","6131","10.1021/acs.orglett.7b02993","","","0.71073","MoKα","","0.1108","0.0511","","","0.1369","0.1783","","","","","","0.913","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547860","26.4511","0.0004","26.4511","0.0004","11.7055","0.0002","90","","90","","120","","7092.64","0.19","200","2","200","2","","","","","","","","5","P 65","P 65","170","","","","- C30.16 H25.33 Cl0.33 N O2 -","- C30.167 H25.334 Cl0.334 N O2 -","- C362.004 H304.008 Cl4.008 N12 O24 -","12","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0329","0.0315","","","0.0897","0.0915","","","","","","0.971","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547861","23.9252","0.0005","10.3277","0.0002","12.9767","0.0003","90","","98.8598","0.0007","90","","3168.18","0.12","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H28 Br2 N2 O4.5 -","- C32 H28 Br2 N2 O4.5 -","- C128 H112 Br8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0308","0.0305","","","0.0872","0.0876","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547862","9.6966","0.0003","10.8744","0.0003","15.2236","0.0004","84.4918","0.0007","86.8253","0.0008","73.5134","0.0007","1531.48","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br2 Cl3 N2 O4 -","- C31 H25 Br2 Cl3 N2 O4 -","- C62 H50 Br4 Cl6 N4 O8 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0333","0.0326","","","0.0811","0.0817","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547863","24.0915","0.0005","9.3008","0.0002","12.4495","0.0003","90","","99.6191","0.0006","90","","2750.34","0.11","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31.5 H27 F2 N2 O4.5 -","- C31.5 H27 F2 N2 O4.5 -","- C126 H108 F8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0294","0.0293","","","0.0769","0.0771","","","","","","1.038","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547874","14.3","0.0005","8.3251","0.0003","29.9248","0.001","90","","99.0075","0.0015","90","","3518.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","1","","Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.","Organic letters","2017","19","21","6000","6003","10.1021/acs.orglett.7b03051","","","0.71073","MoKα","","0.0728","0.0464","","","0.1029","0.1175","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547875","14.8321","0.0007","8.4143","0.0003","29.8348","0.0012","90","","97.4759","0.0019","90","","3691.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C160 H160 N16 O16 S8 -","8","1","","Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.","Organic letters","2017","19","21","6000","6003","10.1021/acs.orglett.7b03051","","","0.71073","MoKα","","0.0854","0.0575","","","0.1485","0.1748","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547876","8.006","0.014","12.99","0.02","14.7","0.02","90","","100.16","0.02","90","","1505","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Mondal, Ramij R.; Khamarui, Saikat; Maiti, Dilip K.","Photocatalytic Generation of Nitrenes for Rapid Diaziridination.","Organic letters","2017","19","21","5964","5967","10.1021/acs.orglett.7b02844","","","0.71073","MoKα","","0.078","0.0506","","","0.1306","0.1549","","","","","","0.863","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547905","9.8378","0.0011","10.0606","0.001","14.0335","0.0012","70.001","0.009","80.759","0.008","83.195","0.009","1285.2","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 Br O4 -","- C29 H33 Br O4 -","- C58 H66 Br2 O8 -","2","1","","Yang, Jun; Xu, Wenbo; Cui, Qi; Fan, Xing; Wang, Lu-Ning; Yu, Zhi-Xiang","Asymmetric Total Synthesis of (-)-Clovan-2,9-dione Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropane and CO.","Organic letters","2017","19","22","6040","6043","10.1021/acs.orglett.7b02656","","","0.71073","MoKα","","0.1742","0.0841","","","0.1968","0.2466","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547906","11.9476","0.0005","5.9856","0.0003","12.3311","0.0005","90","","93.344","0.002","90","","880.34","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-56","gene577","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0271","0.0265","","","0.0678","0.0683","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547907","10.6429","0.0012","17.14","0.002","19.551","0.002","90","","90","","90","","3566.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","68869-190","gene913","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C176 H128 Cl8 F24 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0636","0.0423","","","0.0934","0.1049","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547908","5.973","0.0005","15.888","0.0014","18.3194","0.0016","90","","90","","90","","1738.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","60473-99","gene637","","- C22 H20 Cl F O -","- C22 H20 Cl F O -","- C88 H80 Cl4 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0376","0.0341","","","0.0801","0.0825","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547909","8.6347","0.0005","10.9298","0.0007","16.4312","0.001","90","","93.191","0.001","90","","1548.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-158-7","gene832","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0559","0.0401","","","0.0903","0.0999","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547910","9.7435","0.0006","20.96","0.0013","9.8864","0.0006","90","","113.368","0.001","90","","1853.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","68866-152-6","gene823","","- C23 H21 Cl -","- C23 H21 Cl -","- C92 H84 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.079","0.0597","","","0.1489","0.1654","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547911","5.7244","0.0003","14.8287","0.0007","21.3598","0.0011","90","","97.293","0.002","90","","1798.47","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","68869-124-27","gene685","","- C22 H19 I -","- C22 H19 I -","- C88 H76 I4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0448","0.0439","","","0.1438","0.1464","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547912","6.4515","0.0003","17.1888","0.0008","18.0877","0.0008","68.737","0.001","87.418","0.001","89.422","0.001","1867.33","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71452-7","gene726","","- C23 H23 Cl O -","- C23 H23 Cl O -","- C92 H92 Cl4 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0625","0.0478","","","0.1131","0.1243","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547913","6.1271","0.0003","16.148","0.0008","18.8563","0.0009","90.872","0.002","97.1","0.002","98.775","0.002","1828.57","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-141","gene837","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0347","0.0332","","","0.0804","0.0818","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547914","11.7165","0.0004","6.0572","0.0002","24.9509","0.001","90","","94.48","0.002","90","","1765.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","60473-80","gene671","","- C22 H21 Cl O -","- C22 H21 Cl O -","- C88 H84 Cl4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0827","0.0669","","","0.1605","0.1715","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547915","5.9827","0.0002","25.0699","0.0007","11.6168","0.0003","90","","90.887","0.002","90","","1742.14","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-81","gene578","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0377","0.0337","","","0.0772","0.0794","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547916","18.5748","0.0011","6.4645","0.0004","15.9299","0.0009","90","","107.348","0.002","90","","1825.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","68869-139","gene728","","- C23 H23 Cl O -","- C23 H23 Cl O -","- C92 H92 Cl4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0351","0.0322","","","0.079","0.0811","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547917","12.1357","0.0004","6.0494","0.0002","25.0871","0.001","90","","96.515","0.001","90","","1829.84","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","60473-74","gene626","","- C22 H21 I O -","- C22 H21 I O -","- C88 H84 I4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0327","0.0298","","","0.0637","0.0649","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547918","8.9407","0.0003","9.6685","0.0004","10.3518","0.0004","113.062","0.002","90.552","0.002","92.535","0.002","822.17","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-149-8","gene839","","- C22 H19 F -","- C22 H19 F -","- C44 H38 F2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0383","0.0365","","","0.091","0.0927","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547919","17.524","0.0011","5.9716","0.0003","16.6106","0.001","90","","94.777","0.004","90","","1732.2","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","60473-25","gene583","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0391","0.035","","","0.0899","0.0935","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547920","8.5228","0.0003","12.1509","0.0004","17.005","0.0006","72.107","0.001","89.784","0.001","82.281","0.001","1659.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-182","gene945","","- C20 H17 Cl S -","- C20 H17 Cl S -","- C80 H68 Cl4 S4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0422","0.0404","","","0.1099","0.1117","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547921","18.524","0.002","5.7934","0.0007","16.9793","0.0019","90","","105.284","0.003","90","","1757.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","60473-38","gene602","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0687","0.0493","","","0.123","0.1433","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547922","10.1038","0.0007","8.9144","0.0007","18.5125","0.0012","90","","95.222","0.005","90","","1660.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-153-4","gene824","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.1353","0.0836","","","0.1612","0.1766","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547923","9.5851","0.0003","9.9859","0.0003","10.2722","0.0003","78.476","0.002","66.039","0.002","75.513","0.002","864.54","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","60473-41","gene636","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0614","0.0457","","","0.1163","0.1263","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547924","13.5127","0.0008","9.4159","0.0006","25.6168","0.0017","90","","90","","90","","3259.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","68869-192","gene948","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.052","0.0483","","","0.1322","0.1363","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547925","6.1157","0.0005","7.6877","0.0007","35.725","0.003","88.193","0.009","85.251","0.006","82.371","0.005","1658.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","60473-70","gene596","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","4","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.2116","0.1609","","","0.3742","0.4076","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547926","17.0051","0.001","7.463","0.0005","18.2727","0.0011","90","","97.403","0.001","90","","2299.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-142","gene727","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0554","0.0434","","","0.1051","0.1134","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547927","9.5964","0.0019","9.794","0.002","10.906","0.002","99.828","0.004","94.064","0.003","118.202","0.003","876.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-161-5","gene914","","- C23 H21 Cl -","- C23 H21 Cl -","- C46 H42 Cl2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0941","0.0557","","","0.1121","0.1302","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547928","5.7206","0.0003","16.0457","0.001","18.9021","0.0012","90","","91.033","0.004","90","","1734.76","0.18","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","68869-150","gene833","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0856","0.0595","","","0.1332","0.1427","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547929","10.7335","0.0005","14.9683","0.0007","20.7298","0.001","90","","103.232","0.001","90","","3242.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","68869-158-8","gene831","","- C37 H38 N O4 P -","- C37 H38 N O4 P -","- C148 H152 N4 O16 P4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0733","0.0484","","","0.1125","0.1279","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547930","5.4926","0.0002","9.9685","0.0004","18.0281","0.0006","80.689","0.002","89.091","0.002","74.881","0.002","940.01","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-159","gene838","","- C23 H21 Cl O -","- C23 H21 Cl O -","- C46 H42 Cl2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0503","0.0392","","","0.0939","0.1008","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547931","14.358","0.003","9.3991","0.0017","16.714","0.003","90","","104.03","0.006","90","","2188.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-155","gene835","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.1023","0.0568","","","0.1388","0.1626","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547932","11.7538","0.0005","5.9738","0.0002","12.1137","0.0005","90","","93.451","0.002","90","","849.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","60473-26","gene601","","- C22 H21 F O -","- C22 H21 F O -","- C44 H42 F2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0814","0.0525","","","0.1058","0.1167","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547933","8.7067","0.0009","9.2287","0.001","12.614","0.0013","77.052","0.002","72.793","0.002","64.314","0.002","867.09","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-151","gene822","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0748","0.0457","","","0.1015","0.1172","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547934","5.737","0.0003","15.6229","0.0007","18.8695","0.0008","90","","90","","90","","1691.25","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71452-12","gene836","","- C20 H19 Cl O S -","- C20 H19 Cl O S -","- C80 H76 Cl4 O4 S4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0389","0.0341","","","0.0778","0.0796","","","","","","1.059","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547935","5.8455","0.0003","16.6918","0.0007","37.3464","0.0016","90","","90.567","0.003","90","","3643.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","68869-138","gene802","","- C23 H21 Cl O -","- C23 H21 Cl O -","- C184 H168 Cl8 O8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0856","0.0577","","","0.1511","0.1682","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547936","6.5207","0.0005","16.0428","0.0011","17.9567","0.0008","83.358","0.005","86.821","0.005","80.353","0.006","1838.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-5","gene787","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54184","CuKα","","0.0838","0.0678","","","0.2073","0.2201","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547937","5.8984","0.0003","16.5715","0.0008","17.3993","0.0008","90","","90","","90","","1700.7","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","60473-72","gene603","","- C22 H21 F O -","- C22 H21 F O -","- C88 H84 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0538","0.0429","","","0.0881","0.0926","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547938","8.2234","0.0005","8.767","0.0005","13.8661","0.0008","91.431","0.002","95.956","0.003","110.953","0.003","926.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","60473-10","gene658","","- C23 H23 Cl O2 -","- C23 H23 Cl O2 -","- C46 H46 Cl2 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0363","0.0341","","","0.0872","0.0887","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547939","5.9092","0.0003","13.9608","0.0005","39.1514","0.0016","90","","90","","90","","3229.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-17","gene865","","- C20 H20 O S -","- C20 H20 O S -","- C160 H160 O8 S8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0579","0.0436","","","0.0909","0.0963","","","","","","1.04","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547940","16.1056","0.0005","18.6607","0.0005","5.7399","0.0002","90","","90","","90","","1725.08","0.09","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","68869-154-4","gene834","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0393","0.034","","","0.0785","0.0812","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547941","20.898","0.0005","10.2307","0.0002","17.2114","0.0004","90","","109.785","0.001","90","","3462.6","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","68869-156-5","gene840","","- C22 H18 Cl F -","- C22 H18 Cl F -","- C176 H144 Cl8 F8 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0328","0.0304","","","0.0792","0.0813","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548052","6.6783","0.0006","7.8355","0.0007","8.1648","0.0008","65.48","0.002","86.218","0.002","72.786","0.002","370.51","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PDJXC2-44","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C14 H8 Cl4 O4 -","2","1","","Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.","Pd-Catalyzed Ortho C-H Hydroxylation of Benzaldehydes Using a Transient Directing Group.","Organic letters","2017","19","23","6280","6283","10.1021/acs.orglett.7b02906","","","0.71073","MoKα","","0.0391","0.0307","","","0.077","0.0807","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548125","7.7845","0.0007","10.4296","0.0009","11.802","0.001","85.724","0.002","74.803","0.002","69.047","0.002","863.35","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel","Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.","Organic letters","2017","19","23","6424","6427","10.1021/acs.orglett.7b03309","","","0.71073","MoKα","","0.076","0.0641","","","0.1444","0.1509","","","","","","1.109","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548126","10.6445","0.0005","18.8991","0.001","11.1931","0.0006","90","","109.71","0.001","90","","2119.81","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O -","- C29 H24 N2 O -","- C116 H96 N8 O4 -","4","1","","Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel","Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.","Organic letters","2017","19","23","6424","6427","10.1021/acs.orglett.7b03309","","","0.71073","MoKα","","0.0627","0.0545","","","0.1343","0.1399","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548127","13.726","0.003","15.964","0.003","7.7194","0.0015","90","","111.03","0.03","90","","1578.8","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0367","0.036","","","0.0872","0.0878","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548128","6.3553","0.0013","14.813","0.003","17.085","0.003","90","","95.7","0.03","90","","1600.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0792","0.0699","","","0.1207","0.1248","","","","","","1.23","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548129","6.1967","0.0002","11.195","0.0003","12.7835","0.0003","110.691","0.002","92.738","0.002","93.838","0.002","825.33","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C36 H34 N2 O10 S2 -","2","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0587","0.0469","","","0.1101","0.1207","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548130","5.7561","0.0012","10.135","0.002","20.636","0.004","90","","90","","90","","1203.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0799","0.0587","","","0.1004","0.1081","","","","","","1.122","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548580","8.506","0.002","16.426","0.003","29.288","0.003","90","","91.98","0.01","90","","4089.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38.72 N6 O10.36 S2 -","- C44 H30 N6 O10.359 S2 -","- C176 H120 N24 O41.436 S8 -","4","1","","W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin","Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups","Journal of Porphyrins and Phthalocyanines","2015","19","","1256","1261","10.1142/S1088424615501084","","x-ray","1.54184","CuKα","","0.1368","0.1107","","","0.3006","0.3331","","","","","","1.913","","","","has coordinates","204684","2020-10-21","18:00:00",""
"1548606","9.1078","0.0009","9.1877","0.0009","11.146","0.0011","81.945","0.003","68.341","0.003","81.982","0.003","854.38","0.15","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","","0.71073","MoKα","","0.0806","0.0502","","","0.132","0.1508","","","","","","0.985","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548607","7.584","0.003","23.96","0.015","13.042","0.006","90","","95.24","0.04","90","","2360","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O7 S -","- C24 H26 O7 S -","- C96 H104 O28 S4 -","4","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","","0.71073","MoKα","","0.3866","0.1085","","","0.2135","0.3471","","","","","","0.948","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548608","7.7157","0.0008","11.4525","0.001","13.9009","0.0016","97.178","0.009","95.839","0.009","100.355","0.008","1189.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F O7 S -","- C24 H25 F O7 S -","- C48 H50 F2 O14 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","x-ray","0.71073","MoKα","","0.1045","0.0702","","","0.1904","0.222","","","","","","1.214","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548609","8.68","0.002","10.624","0.0015","12.798","0.002","79.965","0.014","74.188","0.018","89.59","0.015","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O5 S -","- C24 H21 Cl O5 S -","- C48 H42 Cl2 O10 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","x-ray","0.71073","MoKα","","0.171","0.074","","","0.1708","0.2464","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548610","9.5414","0.0008","17.3999","0.0011","9.7984","0.0008","90","","116.714","0.011","90","","1453.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O S2 -","- C17 H14 O S2 -","- C68 H56 O4 S8 -","4","1","","Wang, Quannan; Yang, Xiaoge; Wu, Ping; Yu, Zhengkun","Photoredox-Catalyzed C-H Arylation of Internal Alkenes to Tetrasubstituted Alkenes: Synthesis of Tamoxifen.","Organic letters","2017","19","22","6248","6251","10.1021/acs.orglett.7b03223","","","0.71073","MoKα","","0.0538","0.0397","","","0.0909","0.0996","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548611","4.0165","0.0007","23.916","0.003","17.104","0.002","90","","94.419","0.013","90","","1638.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Wang, Quannan; Yang, Xiaoge; Wu, Ping; Yu, Zhengkun","Photoredox-Catalyzed C-H Arylation of Internal Alkenes to Tetrasubstituted Alkenes: Synthesis of Tamoxifen.","Organic letters","2017","19","22","6248","6251","10.1021/acs.orglett.7b03223","","","0.71073","MoKα","","0.0862","0.0663","","","0.1636","0.1751","","","","","","1.124","","","","has coordinates","204778","2020-10-21","18:00:00",""
"1548612","6.2066","0.0005","16.3879","0.0014","16.6057","0.0016","90","","90","","90","","1689","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yuan, Shiru; Luo, Yuchen; Peng, Jingyi; Miao, Maozhong; Xu, Jianfeng; Ren, Hongjun","Oxidative Asymmetric [2 + 3] Annulation of Aldehydes with Azomethine Imines Enabled by N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","22","6100","6103","10.1021/acs.orglett.7b02948","","","0.71073","MoKα","","0.0705","0.042","","","0.0777","0.0907","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1555980","11.8603","0.0006","9.4892","0.0004","12.0188","0.0009","90","","118.477","0.008","90","","1188.99","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N7 O2 -","- C26 H27 N7 O2 -","- C52 H54 N14 O4 -","2","1","","Shiomi, Noriyuki; Yamamoto, Keisuke; Nagasaki, Kazuma; Hatanaka, Tsubasa; Funahashi, Yasuhiro; Nakamura, Shuichi","Enantioselective Oxidative Ring-Opening Reaction of Aziridines with α-Nitroesters Using Cinchona Alkaloid Amide/Nickel(II) Catalysts.","Organic letters","2017","19","1","74","77","10.1021/acs.orglett.6b03346","","","0.71075","MoKα","","0.0818","0.0509","","","0.0835","0.0895","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555992","8.1158","0.0008","9.2869","0.0009","14.1457","0.0014","86.852","0.001","84.763","0.002","70.523","0.001","1000.62","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0538","0.0488","","","0.1325","0.1372","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555993","11.1632","0.0009","11.1632","0.0009","12.0079","0.0019","90","","90","","90","","1496.4","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H13 F N2 -","- C21 H13 F N2 -","- C84 H52 F4 N8 -","4","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0568","0.0418","","","0.0867","0.0942","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555994","10.5667","0.0019","11.1762","0.0016","18.221","0.003","90","","90","","90","","2151.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Br N O2 Si -","- C19 H27 Br N O2 Si -","- C76 H108 Br4 N4 O8 Si4 -","4","1","","Alicea-Matías, Eyleen; Soderquist, John A.","Asymmetric Propargylboration of Aldimines and Ketimines with the Borabicyclo[3.3.2]decanes: Novel Entries to Allenyl Carbinamines, Amino Acids, and Their α-Methyl Counterparts.","Organic letters","2017","19","2","336","339","10.1021/acs.orglett.6b03506","","","0.71073","MoKα","","0.0733","0.0576","","","0.1424","0.1507","","","","","","1.021","","","","has coordinates","239315","2020-10-21","18:00:00",""
"1555996","6.0625","0.0002","19.5089","0.0007","16.3468","0.0006","90","","96.885","0.002","90","","1919.44","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","2","","Wu, Chun-Yan; Yu, Yue-Na; Xu, Ming-Hua","Construction of Chiral Tricyclic Indoles through a Rhodium-Catalyzed Asymmetric Arylation Protocol.","Organic letters","2017","19","2","384","387","10.1021/acs.orglett.6b03585","","","0.71073","MoKα","","0.1211","0.1029","","","0.2877","0.3146","","","","","","0.901","","","","has coordinates,has disorder","239317","2020-10-21","18:00:00",""
"1555997","7.1592","0.0002","9.8482","0.0004","12.3493","0.0005","81.6372","0.0018","83.2218","0.0016","80.227","0.0017","845.03","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.0547","0.0386","","","0.0968","0.11","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555998","11.696","0.002","9.0705","0.0014","15.811","0.003","90","","102.782","0.006","90","","1635.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 N3 -","- C20 H12 F3 N3 -","- C80 H48 F12 N12 -","4","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.1794","0.0758","","","0.197","0.2593","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555999","8.4056","0.0003","9.8583","0.0003","10.2022","0.0003","69.4122","0.0016","78.7895","0.0016","71.4852","0.0016","747.18","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.0671","0.0444","","","0.1132","0.1292","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556000","11.0611","0.0004","6.743","0.0003","13.0444","0.0005","90","","102.392","0.003","90","","950.25","0.07","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Ma, Peng-Ju; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diastereoselective Electrophilic α-Hydroxyamination of N-tert-Butanesulfinyl Imidates.","Organic letters","2017","19","3","670","673","10.1021/acs.orglett.6b03835","","","0.71073","MoKα","","0.0449","0.0399","","","0.1027","0.1074","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556001","26.495","0.002","26.495","0.002","25.84","0.002","90","","90","","120","","15709","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C540 H540 N36 O54 -","18","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2316","0.1185","","","0.2862","0.3575","","","","","","0.973","","","","has coordinates,has disorder","239323","2020-10-21","18:00:00",""
"1556002","12.7136","0.0013","19.6481","0.0016","10.0368","0.0013","90","","104.806","0.009","90","","2423.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0837","0.063","","","0.1608","0.1724","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556003","8.088","0.0009","29.039","0.002","10.3957","0.0012","90","","98.253","0.009","90","","2416.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1285","0.0505","","","0.0941","0.1131","","","","","","0.801","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556004","9.715","0.0018","11.622","0.002","13.28","0.002","64.317","0.012","86.248","0.015","74.246","0.013","1298.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C56 H52 N4 O6 -","2","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1683","0.077","","","0.1536","0.1859","","","","","","0.901","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556005","11.5919","0.0007","14.5845","0.0007","13.8674","0.0009","90","","97.872","0.005","90","","2322.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0586","0.0455","","","0.1094","0.1152","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556006","10.3241","0.001","23.365","0.002","13.7004","0.0014","90","","99.642","0.008","90","","3258.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl2 N2 O5 -","- C34 H36 Cl2 N2 O5 -","- C136 H144 Cl8 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2291","0.1213","","","0.2611","0.3204","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556007","13.9135","0.0007","11.8443","0.0005","18.4125","0.001","90","","108.518","0.004","90","","2877.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 O5 -","- C33 H34 N2 O5 -","- C132 H136 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.06","0.0471","","","0.1108","0.1166","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556008","18.4813","0.0006","18.4813","0.0006","16.4257","0.0005","90","","90","","120","","4858.7","0.3","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C29.5 H29 Cl N2 O3 S -","- C29.5 H29 Cl N2 O3 S -","- C177 H174 Cl6 N12 O18 S6 -","6","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0703","0.0655","","","0.1751","0.1788","","","","","","1.088","","","","has coordinates,has disorder","239330","2020-10-21","18:00:00",""
"1556009","9.5688","0.0006","10.3956","0.0004","23.8948","0.0015","90","","96.847","0.005","90","","2359.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0651","0.0476","","","0.1111","0.1187","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556010","10.9969","0.001","11.8906","0.0011","15.8497","0.0014","90","","106.796","0.001","90","","1984.1","0.3","189","2","189","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0856","0.0592","","","0.0988","0.1082","","","","","","1.097","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556011","16.2583","0.0008","8.9359","0.0003","19.545","0.001","90","","95.231","0.004","90","","2827.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 O5 -","- C33 H34 N2 O5 -","- C132 H136 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0625","0.0499","","","0.123","0.1294","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556012","15.2433","0.0013","10.1136","0.0006","14.943","0.0012","90","","94.937","0.007","90","","2295.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0781","0.0509","","","0.107","0.1169","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556013","7.8226","0.0008","30.639","0.002","10.1141","0.0011","90","","98.682","0.008","90","","2396.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1216","0.0536","","","0.1089","0.1274","","","","","","0.824","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556014","8.6571","0.0003","29.45","0.0007","10.2183","0.0003","90","","98.7924","0.0009","90","","2574.56","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","1.54178","CuKα","","0.0513","0.049","","","0.1449","0.1471","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556015","17.3068","0.0006","12.0144","0.0004","22.5999","0.0007","90","","96.044","0.003","90","","4673.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0611","0.0525","","","0.1341","0.1396","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556016","22.49","0.007","5.1816","0.001","20.19","0.007","90","","90.78","0.03","90","","2352.6","1.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2285","0.1175","","","0.2733","0.348","","","","","","0.911","","","","has coordinates","239338","2020-10-21","18:00:00",""
"1556017","19.7344","0.0013","12.7882","0.0006","20.279","0.0015","90","","97.031","0.006","90","","5079.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C232 H224 N16 O24 S8 -","8","2","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0983","0.0575","","","0.1276","0.1431","","","","","","1.016","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1556018","20.5553","0.0012","9.5675","0.0003","22.2196","0.0014","90","","115.687","0.007","90","","3937.9","0.4","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H17 Cl O3 -","- C23 H17 Cl O3 -","- C184 H136 Cl8 O24 -","8","2","","Infante, Rebeca; Martin-Alvarez, Jose M; Andrés, Celia; Nieto, Javier","Dimethylzinc-Mediated Addition of Phenylacetylene to α-Diketones Catalyzed by Chiral Perhydro-1,3-benzoxazines.","Organic letters","2017","19","7","1516","1519","10.1021/acs.orglett.7b00252","","x-ray","0.71073","MoKα","","0.1155","0.0655","","","0.1597","0.1859","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556019","8.4334","0.0007","9.1934","0.0008","16.9142","0.0015","90","","90","","90","","1311.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 3b","compound 3b","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Jin, Yushu; Chen, Ming; Ge, Shaozhong; Hartwig, John F.","Palladium-Catalyzed, Enantioselective α-Arylation of α-Fluorooxindoles.","Organic letters","2017","19","6","1390","1393","10.1021/acs.orglett.7b00294","","","1.54178","CuKα","","0.0444","0.041","","","0.1012","0.1045","","","","","","1.133","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556020","16.4017","0.0015","7.1335","0.0007","20.0858","0.0018","90","","95.665","0.003","90","","2338.6","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0639","0.0477","","","0.1171","0.128","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556021","9.9288","0.0005","26.7988","0.0015","4.7384","0.0002","90","","90","","90","","1260.79","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0547","0.0464","","","0.1077","0.1132","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556022","4.0198","0.0008","13.908","0.003","23.21","0.005","90","","94.2","0.004","90","","1294.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.0848","0.051","","","0.1374","0.1589","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556023","9.9321","0.0016","22.705","0.004","19.824","0.003","90","","98.538","0.003","90","","4420.9","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N S2 -","- C11 H13 N S2 -","- C176 H208 N16 S32 -","16","8","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.09","0.045","","","0.0992","0.1208","","","","","","0.974","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556024","10.4789","0.0009","12.074","0.0011","12.5011","0.0011","92.552","0.007","94.697","0.007","98.319","0.007","1557.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N2 O2 -","- C43 H30 N2 O2 -","- C86 H60 N4 O4 -","2","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.1022","0.0583","","","0.135","0.1667","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556025","18.5446","0.001","17.7946","0.0009","18.9442","0.001","90","","90","","90","","6251.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C336 H224 N16 O16 -","8","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.0851","0.0537","","","0.1133","0.1301","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556026","11.0032","0.0009","12.6313","0.001","14.724","0.0012","98.868","0.001","96.16","0.001","102.84","0.001","1950","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H36 Cl2 N4 O S Zn -","- C47 H36 Cl2 N4 O S Zn -","- C94 H72 Cl4 N8 O2 S2 Zn2 -","2","1","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0545","0.0438","","","0.1078","0.1164","","","","","","1.062","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1556027","10.6689","0.001","10.8762","0.001","18.2817","0.0017","83.457","0.001","84.152","0.001","77.519","0.001","2051.2","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H37 N5 O S Zn -","- C51 H37 N5 O S Zn -","- C102 H74 N10 O2 S2 Zn2 -","2","2","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0517","0.0415","","","0.1007","0.1067","","","","","","0.994","","","","has coordinates","239348","2020-10-21","18:00:00",""
"1556028","9.624","0.004","31.096","0.016","13.229","0.007","90","","91.141","0.01","90","","3958","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H27 Br O2 -","- C32 H27 Br O2 -","- C192 H162 Br6 O12 -","6","3","","Perveen, Saima; Zhao, Zhifei; Zhang, Guoxiang; Liu, Jian; Anwar, Muhammad; Fang, Xinqiang","Enantioselective Synthesis of 1,2-Dihydronaphthalenes via Oxidative N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","10","2470","2473","10.1021/acs.orglett.7b00555","","","0.71073","MoKα","","0.1837","0.107","","","0.1661","0.1981","","","","","","1.151","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556029","9.9734","0.0002","11.3386","0.0002","15.3837","0.0002","79.9686","0.001","85.4756","0.0011","79.5603","0.0011","1682.69","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H64 O2 -","- C94 H64 O2 -","- C94 H64 O2 -","1","0.5","","Vadehra, Geeta S.; Jiang, Xing; Dotson, Jordan J.; Chu, Gong M.; Garcia-Garibay, Miguel A","High-Yielding and Divergent Paradigm for the Synthesis of D<sub>2h</sub>-Symmetric Octakis-Substituted Pentiptycenequinones.","Organic letters","2017","19","7","1838","1841","10.1021/acs.orglett.7b00606","","","1.54178","CuKα","","0.0517","0.0393","","","0.1013","0.1071","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556030","11.0167","0.0004","8.4713","0.0003","13.145","0.0005","90","","112.969","0.004","90","","1129.5","0.08","294.16","0.13","294.16","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Ran, Guang-Yao; Gong, Ming; Yue, Jing-Fei; Yang, Xing-Xing; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Cascade Assembly of 1,2-Diaza-1,3-dienes and α,β-Unsaturated Aldehydes via Dienamine Activation.","Organic letters","2017","19","7","1874","1877","10.1021/acs.orglett.7b00636","","x-ray","1.54184","CuKα","","0.0543","0.0529","","","0.1352","0.1376","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556031","12.0277","0.0005","13.0209","0.0004","8.1447","0.0003","90","","106.121","0.004","90","","1225.4","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-benzoyl-1,1-dioxo-1,2-benzothiazolidine","","- C14 H9 N O3 S -","- C14 H9 N O3 S -","- C56 H36 N4 O12 S4 -","4","1","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0499","0.0377","","","0.0823","0.0917","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556032","7.4865","0.0001","10.7242","0.0002","32.3467","0.0004","90","","90","","90","","2597.01","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","anti-(3R,1'R)-3-(alpha-hydroxybenzyl)-1,1- dioxo-1,2-benzothiazolidine","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0519","0.0439","","","0.1134","0.1196","","","","","","1.18","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556033","9.4952","0.0003","13.78766","0.00017","23.3234","0.0004","90","","90","","90","","3053.42","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(3R,4R)-4-hydroxy-3-phenyl-1,1-dioxo- 2H-1,2-benzothiazinane","","- C14 H12 N O3 S -","- C14 H12 N O3 S -","- C112 H96 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","1.54184","CuKα","","0.0423","0.0403","","","0.1083","0.1107","","","","","","1.035","","","","has coordinates","239354","2020-10-21","18:00:00",""
"1556034","9.4838","0.0003","10.5004","0.0004","21.1264","0.0007","90","","90.868","0.002","90","","2103.6","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O3 Se -","- C24 H24 N2 O3 Se -","- C96 H96 N8 O12 Se4 -","4","1","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.0529","0.0328","","","0.0716","0.0793","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556035","7.7378","0.0003","6.7075","0.0002","12.6395","0.0005","90","","102.323","0.001","90","","640.89","0.04","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N4 O -","- C14 H16 N4 O -","- C28 H32 N8 O2 -","2","0.5","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.034","0.0331","","","0.0875","0.0883","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1556036","17.0714","0.0011","17.0714","0.0011","17.0714","0.0011","90","","90","","90","","4975.2","0.6","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C28 H44 Cl2 N8 Ni O2 -","- C28 H24 Cl2 N8 Ni O2 -","- C168 H144 Cl12 N48 Ni6 O12 -","6","0.0625","","Zhang, Xingjie; Xia, Aiyou; Chen, Haoyi; Liu, Yuanhong","General and Mild Nickel-Catalyzed Cyanation of Aryl/Heteroaryl Chlorides with Zn(CN)<sub>2</sub>: Key Roles of DMAP.","Organic letters","2017","19","8","2118","2121","10.1021/acs.orglett.7b00732","","","0.71073","MoKα","","0.0577","0.0505","","","0.1387","0.1448","","","","","","1.215","","","","has coordinates","239357","2020-10-21","18:00:00",""
"1556037","6.0965","0.0003","7.8294","0.0003","17.9271","0.0008","90","","96.951","0.002","90","","849.41","0.07","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","","Zhang, Jingfang; Tang, Yuhai; Wei, Wen; Wu, Yong; Li, Yang; Zhang, Junjie; Zheng, Yuansuo; Xu, Silong","Organocatalytic Cloke-Wilson Rearrangement: DABCO-Catalyzed Ring Expansion of Cyclopropyl Ketones to 2,3-Dihydrofurans.","Organic letters","2017","19","12","3043","3046","10.1021/acs.orglett.7b00805","","","0.71073","MoKα","","0.0649","0.0523","","","0.1331","0.1389","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556038","9.47","0.0019","15.075","0.003","17.824","0.004","90","","90","","90","","2544.6","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O4 Si -","- C26 H34 O4 Si -","- C104 H136 O16 Si4 -","4","1","","Han, Man-Yi; Xie, Xiaoyu; Zhou, Di; Li, Pinhua; Wang, Lei","Organocatalyzed Direct Aldol Reaction of Silyl Glyoxylates for the Synthesis of α-Hydroxysilanes.","Organic letters","2017","19","9","2282","2285","10.1021/acs.orglett.7b00811","","","0.71073","MoKα","","0.0519","0.0423","","","0.1132","0.1225","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556039","5.8132","0.0014","8.851","0.002","31.166","0.008","90","","90","","90","","1603.6","0.7","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br F3 N O3 -","- C16 H13 Br F3 N O3 -","- C64 H52 Br4 F12 N4 O12 -","4","1","","Wang, Pei; Li, Hong-Feng; Zhao, Jia-Zhen; Du, Zhi-Hong; Da, Chao-Shan","Organocatalytic Enantioselective Cross-Aldol Reaction of o-Hydroxyarylketones and Trifluoromethyl Ketones.","Organic letters","2017","19","10","2634","2637","10.1021/acs.orglett.7b00828","","","0.71073","MoKα","","0.0725","0.045","","","0.0947","0.1037","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556040","5.5413","0.0001","15.8031","0.0003","45.3572","0.001","90","","90","","90","","3971.92","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C176 H208 O32 S8 -","8","1","","Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy","Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl.","Organic letters","2017","19","8","2174","2177","10.1021/acs.orglett.7b00834","","","0.6889","synchrotron","","0.0456","0.0389","","0.1036","0.0908","0.1036","","","","","","0.9967","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556041","31.5316","0.001","31.5316","0.001","18.8701","0.0012","90","","90","","90","","18761.4","1.5","100","","100","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C19 H37 Br Cu N3 P2 -","- C19 H37 Br Cu N3 P2 -","- C608 H1184 Br32 Cu32 N96 P64 -","32","2","","Mastalir, Matthias; Pittenauer, Ernst; Stöger, Berthold; Allmaier, Günter; Kirchner, Karl","Three Different Reactions, One Catalyst: A Cu(I) PNP Pincer Complex as Catalyst for C-C and C-N Cross-Couplings.","Organic letters","2017","19","8","2178","2181","10.1021/acs.orglett.7b00857","","x-ray","0.71073","MoKα","","0.0324","0.0228","","","0.0233","0.0243","","","","1.04","1.04","1","","","","has coordinates","239362","2020-10-21","18:00:00",""
"1556042","5.3756","0.00005","8.23448","0.00007","44.3104","0.0004","90","","90","","90","","1961.41","0.03","99.94","0.19","99.94","0.19","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 O S -","- C27 H22 O S -","- C108 H88 O4 S4 -","4","1","","Wang, Zhaobin; Sun, Jianwei","Enantioselective [4 + 2] Cycloaddition of o-Quinone Methides and Vinyl Sulfides: Indirect Access to Generally Substituted Chiral Chromanes.","Organic letters","2017","19","9","2334","2337","10.1021/acs.orglett.7b00867","","x-ray","1.54184","CuKα","","0.0236","0.0232","","","0.0599","0.0602","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556043","16.1302","0.0011","7.5328","0.0005","12.1195","0.0013","90","","90.161","0.007","90","","1472.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F7 N3 O2 -","- C11 H7 F7 N3 O2 -","- C44 H28 F28 N12 O8 -","4","1","","Wang, Rui; Guan, Wei; Han, Zheng-Bo; Liang, Fushun; Suga, Takeo; Bi, Xihe; Nishide, Hiroyuki","Ambient-Light-Promoted Three-Component Annulation: Synthesis of Perfluoroalkylated Pyrimidines.","Organic letters","2017","19","9","2358","2361","10.1021/acs.orglett.7b00894","","","0.71073","MoKα","","0.1327","0.0745","","","0.2102","0.2647","","","","","","1.03","","","","has coordinates","239364","2020-10-21","18:00:00",""
"1556044","9.5604","0.0006","11.3393","0.0008","12.5938","0.0008","64.094","0.007","79.058","0.005","86.136","0.005","1205.56","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O7 Si -","- C25 H31 N O7 Si -","- C50 H62 N2 O14 Si2 -","2","1","","Parsons, Philip J.; Jones, Daniel R.; Walsh, Lee J.; Allen, Lewis A. T.; Onwubiko, Ada; Preece, Lewis; Board, Johnathan; White, Andrew J. P.","An Approach to the Core of Lactonamycin.","Organic letters","2017","19","10","2533","2535","10.1021/acs.orglett.7b00902","","","1.54184","CuKα","","0.0667","0.0491","","","0.122","0.1397","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556045","17.9303","0.0008","6.8625","0.0003","13.4226","0.0006","90","","99.456","0.003","90","","1629.16","0.13","123","","123","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime","Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety.","Organic letters","2017","19","10","2614","2617","10.1021/acs.orglett.7b00940","","","1.54187","CuKα","","0.0812","0.0395","","","0.077","0.1104","","","","","","1.17","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556046","5.541","0.004","15.387","0.012","22.574","0.018","90","","90","","90","","1925","3","120","","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 O S2 -","- C12 H6 O S2 -","- C96 H48 O8 S16 -","8","1","","Mitsudo, Koichi; Kurimoto, Yuji; Mandai, Hiroki; Suga, Seiji","Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives.","Organic letters","2017","19","11","2821","2824","10.1021/acs.orglett.7b00969","","","0.71075","MoKα","","0.1429","0.1377","","","0.2094","0.2114","","","","","","1.581","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556047","8.0471","0.0004","16.3426","0.0008","29.6614","0.0017","90","","90","","90","","3900.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N2 O Rh -","- C19 H26 Cl N2 O Rh -","- C152 H208 Cl8 N16 O8 Rh8 -","8","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.1071","0.097","","","0.2634","0.2881","","","","","","1.085","","","","has coordinates","239368","2020-10-21","18:00:00",""
"1556048","7.58618","0.00009","16.9757","0.0002","15.6843","0.0002","90","","93.0656","0.0011","90","","2016.94","0.04","294.39","0.1","294.39","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N2 O Rh -","- C22 H24 Cl N2 O Rh -","- C88 H96 Cl4 N8 O4 Rh4 -","4","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1379","0.1441","","","","","","1.036","","","","has coordinates","239369","2020-10-21","18:00:00",""
"1556049","12.6554","0.0009","19.7134","0.001","21.0374","0.0011","72.334","0.005","80.809","0.005","82.734","0.005","4919.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H112 Cl2 N10 Ni -","- C116 H105.976 Cl2 N10 Ni -","- C232 H211.952 Cl4 N20 Ni2 -","2","1","","Yin, Bangshao; Kim, Taeyeon; Zhou, Mingbo; Huang, Weiming; Kim, Dongho; Song, Jianxin","Porphyrin-Azobenzene-Bodipy Triads: Syntheses, Structures, and Photophysical Properties.","Organic letters","2017","19","10","2654","2657","10.1021/acs.orglett.7b00988","","","1.54184","CUKα","","0.1047","0.0797","","","0.2283","0.2576","","","","","","1.068","","","","has coordinates,has disorder","239370","2020-10-21","18:00:00",""
"1556050","11.4379","0.0006","12.8956","0.0007","15.0848","0.0008","90","","90","","90","","2225","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 S -","- C27 H23 N O3 S -","- C108 H92 N4 O12 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","","0.71073","MoKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556051","8.9355","0.0005","14.869","0.0006","20.8047","0.0011","90","","90","","90","","2764.2","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl N O4 S -","- C33 H26 Cl N O4 S -","- C132 H104 Cl4 N4 O16 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","x-ray","0.71073","MoKα","","0.0617","0.0467","","","0.0993","0.1099","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556052","22.6919","0.0017","27.504","0.002","32.801","0.002","90","","93.8825","0.0019","90","","20425","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C204 H280 N24 O20 S12 -","- C203.999 H279.998 N24 O19.9996 S11.9996 -","- C815.997 H1119.99 N96 O79.9984 S47.9984 -","4","1","","Cholewiak, Agnieszka; Tycz, Agnieszka; Jurczak, Janusz","8-Propyldithieno[3,2-b:2',3'-e]pyridine-3,5-diamine (DITIPIRAM) Derivatives as Neutral Receptors Tailored for Binding of Carboxylates.","Organic letters","2017","19","11","3001","3004","10.1021/acs.orglett.7b01235","","","0.71073","MoKα","","0.0775","0.0518","","","0.1212","0.1365","","","","","","1.069","","","","has coordinates,has disorder","239373","2020-10-21","18:00:00",""
"1556053","21.5482","0.0011","6.1634","0.0003","16.9021","0.0007","90","","111.981","0.003","90","","2081.59","0.18","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","(3S,4S,5S)-benzyl 3-(4-chlorophenyl)-4-formyl- 5-(2-methoxy-2-oxoethyl)-1,2-oxazinane-2-carboxylate","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C88 H88 Cl4 N4 O24 -","4","1","","Drelich, Piotr; Moczulski, Marek; Albrecht, Łukasz","d<sup>0</sup>a<sup>3</sup> Synthon Equivalents for the Stereocontrolled Synthesis of Functionalized 1,4-Amino Alcohol Precursors.","Organic letters","2017","19","12","3143","3146","10.1021/acs.orglett.7b01268","","","1.54178","CuKα","","0.0244","0.0244","","","0.0674","0.0674","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556054","7.8427","0.0008","22.614","0.002","18.528","0.002","90","","93.229","0.002","90","","3280.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Wang, Xingyong; Liu, Chulong; Zeng, Xiaobao; Wang, Xuesong; Wang, Xinyan; Hu, Yuefei","Ruthenium-Catalyzed Synthesis of Fused Tricyclic 1H-2,3-Dihydropyrimido[1,2-a]quinolines in One Step.","Organic letters","2017","19","13","3378","3381","10.1021/acs.orglett.7b01330","","","0.71073","MoKα","","0.0805","0.0507","","","0.1264","0.1432","","","","","","1.03","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1556055","20.4899","0.0008","9.7314","0.0005","10.0601","0.0005","90","","101.493","0.004","90","","1965.72","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H19 Cl N6 O -","- C19 H19 Cl N6 O -","- C76 H76 Cl4 N24 O4 -","4","1","","Li, Dan; Wang, Kezhou; Wang, Linqing; Wang, Yuan; Wang, Pengxin; Liu, Xin; Yang, Dongxu; Wang, Rui","Magnesium Catalysis Mediated Tetrazoles in Desymmetrization Reaction of Aziridines.","Organic letters","2017","19","12","3211","3214","10.1021/acs.orglett.7b01333","","x-ray","0.71073","MoKα","","0.061","0.0488","","","0.1097","0.1229","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556056","7.1969","0.0002","9.884","0.0003","38.6328","0.0012","90","","90","","90","","2748.11","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17.5 H14 N2 O1.5 -","- C17.5 H14 N2 O1.5 -","- C140 H112 N16 O12 -","8","2","","Mei, Guang-Jian; Bian, Chen-Yu; Li, Guo-Hao; Xu, Shao-Li; Zheng, Wen-Qin; Shi, Feng","Catalytic Asymmetric Construction of the Tryptanthrin Skeleton via an Enantioselective Decarboxylative [4 + 2] Cyclization.","Organic letters","2017","19","12","3219","3222","10.1021/acs.orglett.7b01336","","","1.54178","CuKα","","0.0436","0.0414","","","0.1059","0.1077","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556057","8.0739","0.0005","10.2485","0.0008","27.568","0.002","90","","90","","90","","2281.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0658","0.0454","","","0.0974","0.1075","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556058","34.507","0.003","7.3494","0.0006","13.4613","0.0012","90","","110.662","0.01","90","","3194.3","0.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0632","0.0435","","","0.1108","0.1242","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556059","4.8303","0.0006","9.8898","0.0013","22.174","0.003","99.193","0.005","94.117","0.005","98.243","0.005","1030","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C52 H44 N8 -","2","1","","Nallagangula, Madhu; Namitharan, Kayambu","Copper-Catalyzed Sulfonyl Azide-Alkyne Cycloaddition Reactions: Simultaneous Generation and Trapping of Copper-Triazoles and -Ketenimines for the Synthesis of Triazolopyrimidines.","Organic letters","2017","19","13","3536","3539","10.1021/acs.orglett.7b01500","","","0.71073","MoKα","","0.1509","0.0727","","","0.1864","0.2363","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556060","9.5791","0.0001","8.5119","0.0001","15.0831","0.0002","90","","100.912","0.0015","90","","1207.58","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O10 Si -","- C20 H34 O10 Si -","- C40 H68 O20 Si2 -","2","1","","Fegheh-Hassanpour, Younes; Arif, Tanzeel; Sintim, Herman O.; Al Mamari, Hamad H.; Hodgson, David M.","Synthesis of (-)-6,7-Dideoxysqualestatin H5 by Carbonyl Ylide Cycloaddition-Rearrangement and Cross-electrophile Coupling.","Organic letters","2017","19","13","3540","3543","10.1021/acs.orglett.7b01513","","","1.54184","CuKα","","0.0249","0.0248","","0.0661","0.066","0.0661","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556061","10.1616","0.0019","8.0804","0.0016","12.874","0.002","90","","98.272","0.004","90","","1046.1","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C42 H36 Br4 O10 -","2","1","","Zhong, Xingren; Lv, Jian; Luo, Sanzhong","Enantio- and Diastereoselective Cyclopropanation of β,γ-Unsaturated α-Ketoester by a Chiral Phosphate/Indium(III) Complex.","Organic letters","2017","19","12","3331","3334","10.1021/acs.orglett.7b01577","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0697","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556062","9.3826","0.0003","13.5881","0.0004","18.663","0.0005","90","","90","","90","","2379.38","0.12","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto","Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone.","Organic letters","2017","19","14","3763","3766","10.1021/acs.orglett.7b01604","","","1.54187","CuKα","","","0.0488","","","","0.126","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556063","12.0435","0.0011","8.0033","0.0007","23.937","0.002","90","","102.088","0.003","90","","2256.1","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H38 O4 S Si -","- C19 H38 O4 S Si -","- C76 H152 O16 S4 Si4 -","4","2","","Santalla, Hugo; Faza, Olalla Nieto; Gómez, Generosa; Fall, Yagamare; Silva López, Carlos","From Hydrindane to Decalin: A Mild Transformation through a Dyotropic Ring Expansion.","Organic letters","2017","19","13","3648","3651","10.1021/acs.orglett.7b01621","","","0.71073","MoKα","","0.046","0.0401","","","0.0974","0.101","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556064","8.6959","0.0017","9.773","0.002","8.8762","0.0018","90","","93.14","0.03","90","","753.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Wang, Jie; Wang, Lili; Guo, Shan; Zha, Shanke; Zhu, Jin","Synthesis of 2,3-Benzodiazepines via Rh(III)-Catalyzed C-H Functionalization of N-Boc Hydrazones with Diazoketoesters.","Organic letters","2017","19","13","3640","3643","10.1021/acs.orglett.7b01642","","","1.54178","CuKα","","0.0291","0.0281","","","0.0729","0.0739","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556065","34.436","0.005","8.0667","0.0012","24.298","0.006","90","","134.486","0.001","90","","4815.3","1.6","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound10a_prime","","","- C15 H18 O -","- C15 H18 O -","- C240 H288 O16 -","16","2","","Su, Naijing; Deng, Tianning; Wink, Donald J.; Driver, Tom G.","Achieving Site Selectivity in Metal-Catalyzed Electron-Rich Carbene Transfer Reactions from N-Tosylhydrazones.","Organic letters","2017","19","15","3990","3993","10.1021/acs.orglett.7b01694","","","0.71073","MoKα","","0.091","0.0536","","","0.1522","0.1727","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556066","6.949","0.0014","21.165","0.004","12.887","0.003","90","","105.15","0.03","90","","1829.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Liu; Chen, Kun; Wu, Wen-Zhen; Wang, Peng-Fei; Song, Hang-Yu; Sun, Hongbin; Wen, Xiaoan; Xu, Qing-Long","Organocatalytic Para-Selective Amination of Phenols with Iminoquinone Monoacetals.","Organic letters","2017","19","14","3823","3826","10.1021/acs.orglett.7b01700","","","0.71073","MoKα","","0.1301","0.065","","","0.1452","0.1778","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556067","9.4312","0.0008","11.6729","0.0009","14.7247","0.0011","90","","100.851","0.002","90","","1592.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Br O3 -","- C37 H37 Br O3 -","- C74 H74 Br2 O6 -","2","1","","Liu, Shuai; Lan, Xin-Chan; Chen, Ke; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Ag/Brønsted Acid Co-Catalyzed Spiroketalization of β-Alkynyl Ketones toward Spiro[chromane-2,1'-isochromene] Derivatives.","Organic letters","2017","19","14","3831","3834","10.1021/acs.orglett.7b01705","","","0.71073","MoKα","","0.0831","0.0434","","","0.0734","0.0792","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556068","8.7223","0.0002","12.0422","0.0003","24.8833","0.0006","90","","92.4013","0.0011","90","","2611.34","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B N -","- C36 H28 B N -","- C144 H112 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1115","0.0525","","","0.119","0.1567","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556069","13.779","0.0004","10.4066","0.0002","24.1478","0.0006","90","","103.533","0.0009","90","","3366.47","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B N -","- C46 H36 B N -","- C184 H144 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.0938","0.0694","","","0.1787","0.1959","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556070","11.74","0.0008","19.9773","0.0015","15.4637","0.0011","90","","110.826","0.003","90","","3389.8","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 B N -","- C46 H36 B N -","- C184 H144 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.091","0.0565","","","0.1236","0.1395","","","","","","1.128","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556071","10.4947","0.0012","12.3025","0.0011","17.1963","0.0017","90","","95.954","0.004","90","","2208.3","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B N -","- C30 H26 B N -","- C120 H104 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1769","0.0755","","","0.1245","0.1578","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556072","9.1115","0.0005","14.7945","0.0009","16.9449","0.0011","90","","100.664","0.0017","90","","2244.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B N -","- C30 H26 B N -","- C120 H104 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1071","0.0526","","","0.1136","0.149","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556073","11.6927","0.0001","16.4378","0.0001","15.7568","0.0001","90","","108.557","0.001","90","","2871.03","0.04","150","0.1","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","2","","Yin, Guo-Ping; Wu, Ya-Rong; Yang, Ming-Hua; Li, Tian-Xiao; Wang, Xiao-Bing; Zhou, Miao-Miao; Lei, Jian-Li; Kong, Ling-Yi","Citrifurans A-D, Four Dimeric Aromatic Polyketides with New Carbon Skeletons from the Fungus Aspergillus sp.","Organic letters","2017","19","15","4058","4061","10.1021/acs.orglett.7b01823","","","1.54184","CuKα","","0.0644","0.0623","","","0.1943","0.1982","","","","","","1.085","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1556074","12.3073","0.0015","18.643","0.002","20.256","0.002","90","","90","","90","","4647.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N3 O3.5 S -","- C22 H25 N3 O3.5 S -","- C176 H200 N24 O28 S8 -","8","2","","Hajra, Saumen; Singha Roy, Somnath; Aziz, Sk Mohammad; Das, Dhiraj","Catalyst-Free ""On-Water"" Regio- and Stereospecific Ring-Opening of Spiroaziridine Oxindole: Enantiopure Synthesis of Unsymmetrical 3,3'-Bisindoles.","Organic letters","2017","19","15","4082","4085","10.1021/acs.orglett.7b01833","","","0.71073","MoKα","","0.1335","0.0704","","","0.1726","0.201","","","","","","0.978","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1556075","8.8357","0.0006","10.6795","0.0006","10.7206","0.0007","63.805","0.001","75.002","0.002","71.138","0.002","850.9","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mandal, Anup; Sahoo, Harekrishna; Dana, Suman; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed Hydroarylation of Maleimides Using Carboxylic Acids as a Traceless Directing Group.","Organic letters","2017","19","15","4138","4141","10.1021/acs.orglett.7b01964","","","1.54178","CuKα","","0.0527","0.0457","","","0.1237","0.1307","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556076","10.585","0.00019","9.1046","0.00016","16.2981","0.0003","90","","93.8838","0.0016","90","","1567.08","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Han, Xiang-Lei; Zhou, Chu-Jun; Liu, Xu-Ge; Zhang, Shang-Shi; Wang, Honggen; Li, Qingjiang","Regioselective Synthesis of 5-Aminooxazoles via Cp*Co(III)-Catalyzed Formal [3 + 2] Cycloaddition of N-(Pivaloyloxy)amides with Ynamides.","Organic letters","2017","19","22","6108","6111","10.1021/acs.orglett.7b02959","","x-ray","1.54184","CuKα","","0.0353","0.0328","","","0.0839","0.0864","","","","","","1.0508","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556077","10.3618","0.00012","9.18131","0.00013","15.6457","0.0002","90","","90.094","0.0012","90","","1488.45","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","","Han, Xiang-Lei; Zhou, Chu-Jun; Liu, Xu-Ge; Zhang, Shang-Shi; Wang, Honggen; Li, Qingjiang","Regioselective Synthesis of 5-Aminooxazoles via Cp*Co(III)-Catalyzed Formal [3 + 2] Cycloaddition of N-(Pivaloyloxy)amides with Ynamides.","Organic letters","2017","19","22","6108","6111","10.1021/acs.orglett.7b02959","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0888","0.0896","","","","","","1.0451","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556078","10.145","0.006","26.485","0.015","4.785","0.003","90","","90","","90","","1285.7","1.3","293","2","293","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C14 H11 Br F N O -","- C14 H11 Br F N O -","- C56 H44 Br4 F4 N4 O4 -","4","1","","Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Decarbethoxylative Arylation Employing Arynes: A Metal-Free Pathway to Arylfluoroamides.","Organic letters","2017","19","21","6016","6019","10.1021/acs.orglett.7b03072","","","0.71075","MoKα","","0.147","0.0867","","","0.1874","0.2243","","","","","","0.974","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1557143","14.1914","0.0005","9.0659","0.0003","16.0033","0.0005","90","","101.488","0.002","90","","2017.7","0.12","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N O4 P -","- C23 H24 N O4 P -","- C92 H96 N4 O16 P4 -","4","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0658","0.0473","","","0.1046","0.1147","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557144","26.8408","0.0013","9.9974","0.0005","17.4578","0.0008","90","","110.506","0.001","90","","4387.8","0.4","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N O4 P -","- C25 H28 N O4 P -","- C200 H224 N8 O32 P8 -","8","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0335","0.033","","","0.0852","0.0856","","","","","","1.048","","","","has coordinates,has disorder","301780","2025-08-18","21:43:37",""
"1557145","9.7414","0.0005","10.2898","0.0005","13.4571","0.0006","110.284","0.001","109.513","0.001","90.732","0.001","1179.9","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C56 H52 N2 O8 P2 -","2","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0382","0.0377","","","0.1013","0.1017","","","","","","1.074","","","","has coordinates,has disorder","301780","2025-08-18","21:43:37",""
"1557711","19.0137","0.0009","7.3113","0.0004","20.1679","0.0009","90","","95.594","0.004","90","","2790.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MPTA","5-(2-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C120 H104 N24 O8 S8 -","8","1","","Ila, ?; Dani, Reshmi; Verma, Surya Pratap; Krishnamoorthy, G.","The origin of the longer wavelength emission in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole and its analogue 2-phenylamino-5-(2-hydroxybenzono)-1,3,4-thiadiazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","6","844","853","10.1039/c9pp00490d","","","0.71073","MoKα","","0.0769","0.0486","","","0.1007","0.1184","","","","","","1.059","","","","has coordinates","257927","2020-10-21","18:00:00",""
"1557818","9.278","0.0003","10.9501","0.0002","11.6256","0.0003","87.339","0.002","68.312","0.002","88.577","0.002","1096.27","0.05","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br N4 O3 -","- C23 H25 Br N4 O3 -","- C46 H50 Br2 N8 O6 -","2","1","","Saini, Vaishali; Krishnan, Rangan; Khungar, Bharti","Exploration of fluorescence behavior of an imidazolium-based chemosensor in solution and in the solid state and its turn-on response to Al<sup>3+</sup> in pure aqueous medium.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","7","931","942","10.1039/c9pp00477g","","x-ray","0.71073","MoKα","","0.0264","0.0224","","","0.0566","0.0582","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558290","24.6944","0.0013","12.1525","0.0007","24.3587","0.0018","90","","119.085","0.001","90","","6388.2","0.7","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","PrL2","","- C27 H25 F6 N9 O6 P Pr -","- C27 H25 F6 N9 O6 P Pr -","- C216 H200 F48 N72 O48 P8 Pr8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.036","0.0344","","","0.0751","0.0758","","","","","","1.224","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558291","11.2569","0.0006","12.6567","0.0007","13.684","0.0008","63.881","0.001","88.073","0.001","85.069","0.001","1744.04","0.17","90","","90","","","","","","","","","7","P -1","-P 1","2","","PrL3","","- C29 H29 F6 N9 O6 P Pr -","- C29 H29 F6 N9 O6 P Pr -","- C58 H58 F12 N18 O12 P2 Pr2 -","2","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0294","0.0276","","","0.0683","0.0696","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558292","13.2587","0.0014","11.8157","0.0012","20.586","0.002","90","","96.707","0.001","90","","3202.9","0.6","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 F6 N9 O6 P Pr -","- C27 H25 F6 N9 O6 P Pr -","- C108 H100 F24 N36 O24 P4 Pr4 -","4","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0615","0.0571","","","0.1392","0.1416","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558293","8.9374","0.0005","12.2439","0.0006","16.3426","0.0009","110.156","0.001","105.64","","92.586","0.001","1597.71","0.15","90","","90","","","","","","","","","7","P -1","-P 1","2","","PrL","","- C26 H23 F6 N9 O6 P Pr -","- C26 H23 F6 N9 O6 P Pr -","- C52 H46 F12 N18 O12 P2 Pr2 -","2","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0302","0.0295","","","0.0814","0.0819","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558294","13.2647","0.0009","11.7465","0.0008","20.5653","0.0014","90","","96.906","0.001","90","","3181.1","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Eu F6 N9 O6 P -","- C27 H25 Eu F6 N9 O6 P -","- C108 H100 Eu4 F24 N36 O24 P4 -","4","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0201","0.0192","","","0.0493","0.0497","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558295","16.7522","0.0018","14.5415","0.0015","25.718","0.003","90","","90","","90","","6265","1.2","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Eu F6 N8 O6 P -","- C27 H26 Eu F6 N8 O6 P -","- C216 H208 Eu8 F48 N64 O48 P8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0283","0.0228","","","0.0534","0.0565","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558654","31.8763","0.0012","6.7502","0.0002","27.2595","0.001","90","","114.087","0.002","90","","5354.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H25 N O -","- C37 H25 N O -","- C296 H200 N8 O8 -","8","1","","Frigoli, Michel; Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Zangarelli, Agnese; Pannacci, Danilo; Adachi, Chihaya; Ortica, Fausto","Synthesis and photochromic behaviour of a series of benzopyrans bearing an N-phenyl-carbazole moiety: photochromism control by the steric effect.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","10","1344","1355","10.1039/d0pp00202j","","","0.71073","MoKα","","0.0621","0.0565","","","0.1323","0.1351","","","","","","1.17","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558692","9.521","0.0011","19.764","0.002","10.8022","0.0012","90","","103.759","0.012","90","","1974.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C88 H88 N16 O12 -","4","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.0998","0.0546","","","0.1366","0.1536","","","","","","1.18","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558693","9.6779","0.0008","10.4548","0.001","12.1262","0.001","112.874","0.009","91.882","0.007","103.594","0.007","1088.16","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C50 H46 N10 O6 -","2","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.0977","0.0513","","","0.1163","0.1334","","","","","","0.994","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558694","9.5658","0.0008","10.6286","0.0015","12.2495","0.0015","113.08","0.012","91.151","0.008","103.715","0.009","1104.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O3 -","- C26 H24 N4 O3 -","- C52 H48 N8 O6 -","2","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.1137","0.0536","","","0.1144","0.1387","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1559177","14.5487","0.0003","15.4322","0.0003","28.751","0.0006","90","","101.544","0.007","90","","6324.6","0.3","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 B Cl3 F3 N2 O3 S -","- C32 H31 B Cl3 F3 N2 O3 S -","- C256 H248 B8 Cl24 F24 N16 O24 S8 -","8","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0604","0.0457","","","0.1131","0.121","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1559178","9.9951","0.0002","10.6777","0.0003","14.0199","0.0003","68.127","0.005","85.063","0.006","88.677","0.006","1383.34","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 B F3 N2 O3 S -","- C31 H30 B F3 N2 O3 S -","- C62 H60 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0588","0.0469","","","0.1483","0.1561","","","","","","1.215","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1559179","9.76723","0.00018","10.8636","0.0002","29.3189","0.0006","86.89","0.006","86.035","0.006","85.589","0.006","3090.56","0.11","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H27 B Cl3 F3 N2 O3 S3 -","- C28 H27 B Cl3 F3 N2 O3 S3 -","- C112 H108 B4 Cl12 F12 N8 O12 S12 -","4","2","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0802","0.0696","","","0.2128","0.2204","","","","","","1.113","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559180","30.1054","0.0006","10.64028","0.00019","10.64427","0.00019","90","","90","","90","","3409.68","0.11","173","","173","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H28 B Cl6 F3 N2 O5 S -","- C29 H28 B Cl6 F3 N2 O5 S -","- C116 H112 B4 Cl24 F12 N8 O20 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0609","0.0589","","","0.1515","0.1548","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1559181","11.0952","0.0004","11.5436","0.0004","14.1018","0.0004","112.209","0.008","108.743","0.008","94.906","0.007","1538.71","0.18","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B F3 N2 O3 S -","- C35 H30 B F3 N2 O3 S -","- C70 H60 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0667","0.044","","","0.1299","0.1419","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1559704","21.354","0.0016","12.3394","0.001","10.9586","0.0008","90","","101.844","0.006","90","","2826.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 F6 O6 -","- C29 H34 F6 O6 -","- C116 H136 F24 O24 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0975","0.0551","","","0.1111","0.1255","","","","","","0.953","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559705","6.3781","0.0016","13.826","0.004","15.124","0.004","92.61","0.02","91.07","0.02","96.54","0.02","1323.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 F4 N5 S2 -","- C29 H21 F4 N5 S2 -","- C58 H42 F8 N10 S4 -","2","1","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.1733","0.0559","","","0.1127","0.1487","","","","","","0.846","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559706","21.89","0.004","9.2771","0.0015","10.6726","0.0014","90","","99.344","0.012","90","","2138.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H10 F6 N4 O2 -","- C23 H10 F6 N4 O2 -","- C92 H40 F24 N16 O8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.127","0.0589","","","0.1048","0.1219","","","","","","0.985","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559707","25.3473","0.0019","11.025","0.0008","10.6805","0.0011","90","","90","","90","","2984.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H34 F6 O4 S2 -","- C29 H34 F6 O4 S2 -","- C116 H136 F24 O16 S8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0482","0.0414","","","0.1106","0.1145","","","","","","1.043","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559708","7.147","0.001","8.3925","0.0012","14.495","0.002","81.952","0.012","87.947","0.012","78.899","0.012","844.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H10 F6 O2 -","- C19 H10 F6 O2 -","- C38 H20 F12 O4 -","2","1","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0644","0.0386","","","0.0882","0.0961","","","","","","0.92","","","","has coordinates,has disorder","301780","2025-08-18","21:43:41",""
"1559709","21.831","0.003","9.0389","0.0008","10.1044","0.0013","90","","101.746","0.01","90","","1952.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C92 H64 N16 O8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1328","0.1425","","","","","","1.045","","","","has coordinates","259566","2020-12-05","15:09:01",""
"1560013","5.2406","0.0007","6.5334","0.0008","31.137","0.004","90","","91.691","0.005","90","","1065.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","0.5","","Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran","Aggregation-induced phosphorescence of an anthraquinone based emitter.","Organic & biomolecular chemistry","2021","19","5","1004","1008","10.1039/d0ob02505d","","","0.71073","MoKα","","0.1008","0.0708","","","0.1768","0.1926","","","","","","1.099","","","","has coordinates","262709","2021-03-05","02:23:44",""
"1562756","11.746","0.002","12.121","0.002","20.783","0.004","90","","90","","90","","2958.9","0.9","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N3 Ni O3 -","- C34 H37 N3 Ni O3 -","- C136 H148 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0638","0.0445","","","0.0944","0.103","","","","","","1.02","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562757","10.1084","0.0004","12.8143","0.0005","21.4068","0.0009","90","","90","","90","","2772.87","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N3 Ni O3 -","- C31 H33 N3 Ni O3 -","- C124 H132 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0314","0.028","","","0.0709","0.073","","","","","","1.033","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1566635","6.37451","0.00009","6.37451","","6.37451","","90","","90","","90","","259.024","0.004","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","del Rosso, L.; Celli, M.; Grazzi, F.; Catti, M.; Hansen, T. C.; Fortes, A. D.; Ulivi, L.","Cubic ice Ic without stacking defects obtained from ice XVII","Nature Materials","2020","19","","663","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273829","2022-03-20","01:24:46",""
"1567989","12.4827","0.0002","16.0047","0.0003","4.74526","0.00007","90","","90","","90","","948.02","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GAG","Gly-Ala-Gly","","- C7 H13 N3 O4 -","- C7 H13 N3 O4 -","- C28 H52 N12 O16 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.00813","1.395","","","","","","","has coordinates","281617","2023-03-04","18:49:54",""
"1567990","17.1256","0.0002","12.9078","0.0002","4.75585","0.00007","90","","90","","90","","1051.3","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GDG","Gly-asp-Gly","","- C8 H13 N3 O6 -","- C8 H13 N3 O6 -","- C32 H52 N12 O24 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01072","1.343","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567991","11.7071","0.0007","4.7121","0.0002","12.4111","0.0008","90","","104.951","0.006","90","","661.48","0.07","298","2","298","","100","","100","","","","Drexel University","4","P 1 21 1","P 2yb","4","GHG","Gly-Ala-Gly","Gly-His-Gly","- C10 H17 N5 O5 -","- C10 H17 N5 O5 -","- C20 H34 N10 O10 -","2","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.02067","2.376","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567992","4.89638","0.00018","9.6784","0.0003","28.5374","0.0009","90","","90","","90","","1352.36","0.08","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GYG","Gly-Ala-Gly","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01057","2.099","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1568174","13.6884","0.0007","17.0653","0.001","28.5141","0.0013","90","","90","","90","","6660.8","0.6","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 O11 P -","- C35 H28 O11 P -","- C280 H224 O88 P8 -","8","2","","Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan","A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.","Soft matter","2023","19","3","430","435","10.1039/d2sm01424f","","","0.71073","MoKα","","0.1117","0.0561","","","0.1216","0.148","","","","","","1.016","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568260","6.715","0.003","7.437","0.002","24.396","0.009","86.48","0.02","82.188","0.017","68.301","0.012","1121.4","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 Br N2 -","- C21 H41 Br N2 -","- C42 H82 Br2 N4 -","2","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.0663","0.0628","","","0.1676","0.1693","","","","","","1.196","","","","has coordinates","281616","2023-03-04","18:49:42",""
"1568261","27.66","0.009","9.968","0.0019","8.286","0.0016","90","","91.613","0.012","90","","2283.7","1","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 I N2 -","- C21 H41 I N2 -","- C84 H164 I4 N8 -","4","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1194","0.097","","","0.2727","0.2966","","","","","","1.107","","","","has coordinates","281616","2023-03-04","18:49:42",""
"1568262","7.0531","0.0002","15.7762","0.0005","27.107","0.0009","96.4858","0.0018","95.9509","0.0017","98.1327","0.0017","2944.75","0.16","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 F6 N3 O4 S2 -","- C23 H41 F6 N3 O4 S2 -","- C92 H164 F24 N12 O16 S8 -","4","2","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1068","0.089","","","0.2519","0.2612","","","","","","1.05","","","","has coordinates,has disorder","281616","2023-03-04","18:49:42",""
"1568655","4.0571","0.0002","32.9255","0.0013","42.2251","0.0016","110.788","0.002","91.124","0.002","91.507","0.002","5269","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","compound 12O-AzNO2-PhO12","","- C40 H59 N O4 -","- C40 H59 N O4 -","- C240 H354 N6 O24 -","6","3","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1483","0.0883","","","0.1921","0.2094","","","","","","1.033","","","","has coordinates","283513","2023-05-05","03:38:05",""
"1568656","63.421","0.005","5.4344","0.0004","22.0542","0.0015","90","","107.341","0.004","90","","7255.6","0.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","compound 12O-AzCN-PhS12","","- C41 H59 N O S -","- C41 H59 N O S -","- C328 H472 N8 O8 S8 -","8","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","1.54178","CuKα","","0.0594","0.0465","","","0.1177","0.1234","","","","","","1.035","","","","has coordinates","283513","2023-05-05","03:38:07",""
"1568657","36.366","0.002","14.446","0.0008","6.8454","0.0004","90","","90.421","0.004","90","","3596.1","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 12S-AzCN-PhO12","","- C41 H59 N O S -","- C41 H59 N O S -","- C164 H236 N4 O4 S4 -","4","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1143","0.0609","","","0.1203","0.1338","","","","","","1.028","","","","has coordinates","283513","2023-05-05","03:38:07",""
"1568786","10.85569","0.00008","25.04851","0.00019","12.39611","0.00009","90","","99.6153","0.0007","90","","3323.38","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 N4 O6.5 -","- C34 H43 N4 O6.5 -","- C136 H172 N16 O26 -","4","2","","Ibukun, Olamilekan Joseph; Gumtya, Milan; Singh, Surajit; Shit, Ananda; Haldar, Debasish","Effect of the spacer on the structure and self-assembly of FF peptide mimetics.","Soft matter","2023","19","17","3215","3221","10.1039/d3sm00339f","","","1.54184","CuKα","","0.0272","0.0269","","","0.0677","0.0679","","","","","","1.033","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1569069","8.2705","0.0003","8.3119","0.0004","8.6304","0.0004","81.434","0.004","78.227","0.004","66.545","0.004","531.3","0.04","294.6","0.5","294.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C8 H19 Br N O -","- C8 H19 Br N O -","- C16 H38 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0401","0.0358","","","0.0945","0.0966","","","","","","1.06","","","","has coordinates","284347","2023-06-05","05:03:34",""
"1569070","15.6157","0.0017","13.7323","0.0016","10.4556","0.001","90","","90","","90","","2242.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H29 Br2 N2 -","- C19 H29 Br2 N2 -","- C76 H116 Br8 N8 -","4","0.5","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.1124","0.0723","","","0.2168","0.2478","","","","","","1.05","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1569071","8.7747","0.0006","8.8458","0.0006","8.9862","0.0005","94.525","0.005","105.831","0.005","117.457","0.007","578.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H21 Br N O -","- C9 H21 Br N O -","- C18 H42 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0766","0.0525","","","0.1367","0.1491","","","","","","1.029","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1569618","6.4465","0.001","10.691","0.002","12.369","0.002","100.887","0.017","93.957","0.016","98.408","0.015","824","0.2","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","L2","L2","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.2001","0.0778","","","0.179","0.2537","","","","","","0.987","","","","has coordinates","286198","2023-09-05","20:27:56",""
"1569619","11.9011","0.0009","6.2428","0.0004","22.2023","0.0016","90","","102.18","0.008","90","","1612.4","0.2","293","2","293","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","L4","L4","","- C21 H15 N2 O -","- C21 H15 N2 O -","- C84 H60 N8 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.0757","0.0591","","","0.1611","0.1758","","","","","","1.063","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569620","15.072","0.002","5.7457","0.0013","22.182","0.004","90","","106.626","0.018","90","","1840.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","L3","L3","","- C23 H18 N2 O2 -","- C23 H19 N3 O -","- C92 H76 N12 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","","0.71073","MoKα","","0.1748","0.0713","","","0.1598","0.2232","","","","","","0.967","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569621","14.8045","0.0012","6.147","0.0005","22.9263","0.0019","90","","107.231","0.002","90","","1992.7","0.3","297","2","297","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","L5","L5","","- C27 H18 N2 O -","- C27 H18 N2 O -","- C108 H72 N8 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.1241","0.0711","","","0.1617","0.2118","","","","","","1.256","","","","has coordinates","301209","2025-07-10","11:18:52",""
"1569759","9.549","0.0004","13.356","0.0006","14.7285","0.0006","108.404","0.002","103.569","0.002","95.911","0.002","1700.38","0.13","199.98","","199.98","","","","","","","","","4","P 1","P 1","1","","","","- C30 H52 N4 O5 -","- C29.9995 H51.9988 N4 O5 -","- C59.999 H103.998 N8 O10 -","2","2","","Rabaud, Dorian; Dussart, Paul; Ducouret, Guylaine; Albouy, Pierre-Antoine; Forté, Jérémy; Isare, Benjamin; Bouteiller, Laurent","Development of furan-2,5-dicarboxylic acid (FDCA)-based organogelators.","Soft matter","2023","19","36","6958","6967","10.1039/d3sm00771e","","","1.54178","CuKα","","0.0506","0.0496","","","0.1383","0.1402","","","","","","1.061","","","","has coordinates,has disorder","286816","2023-10-06","00:54:36",""
"1570154","7.3414","0.0003","13.5389","0.0005","14.84","0.0006","90","","101.962","0.004","90","","1442.98","0.1","150","0.2","150","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 Au Cl N10 O11 S2 -","- C20 H30 Au Cl N10 O11 S2 -","- C40 H60 Au2 Cl2 N20 O22 S4 -","2","1","","McGarry, Liam F.; El-Zubir, Osama; Waddell, Paul G.; Cucinotta, Fabio; Houlton, Andrew; Horrocks, Benjamin R.","Vesicles, fibres, films and crystals: A low-molecular-weight-gelator [Au(6-thioguanosine)<sub>2</sub>]Cl which exhibits a co-operative anion-induced transition from vesicles to a fibrous metallo-hydrogel.","Soft matter","2023","19","43","8386","8402","10.1039/d3sm01006f","","x-ray","1.54184","CuKα","","0.0486","0.0395","","","0.0878","0.0938","","","","","","1.032","","","","has coordinates","288912","2024-01-06","10:00:56",""
"1570177","23.2","0.03","10.861","0.013","10.066","0.013","90","","90.07","0.04","90","","2536","6","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-cyclohexyl-3,3-dimethylbutanamide","","- C1.88 H3.61 N0.16 O0.16 -","- C1.88235 H3.60784 N0.156863 O0.156863 -","- C96 H184 N8 O8 -","51","12.75","","Bhardwaj, Varsha; Patel, Ajaykumar M.; Ballabh, Amar","Stimuli responsive gelation of <i>tert</i>-butylacetic acid based LMOGs - applications in remediation of marine oil spills, dye removal and heavy metal sensing.","Soft matter","2023","19","44","8595","8603","10.1039/d3sm00960b","","","0.71073","MoKα","","0.2741","0.0927","","","0.2136","0.3467","","","","","","0.867","","","","has coordinates","288911","2024-01-06","10:00:39",""
"2300519","4.0692","","4.0692","","4.0692","","90","","90","","90","","67.379","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag0.842 Al0.158)","","- Ag0.842 Al0.158 -","- Ag0.842 Al0.158 -","- Ag3.368 Al0.632 -","4","0.0208333","","Pradhan, S.K.; De, M.","An X-ray determination of the thermal expansion of alpha-phase Ag-Al alloys at high temperatures","Journal of Applied Crystallography","1986","19","","484","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","142995","2020-10-21","18:00:00",""
"2310073","9.89","","9.89","","9.89","","90","","90","","90","","967.362","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag7 (N O3) O8","","- Ag7 N O11 -","- Ag7 N O11 -","- Ag28 N4 O44 -","4","0.0208333","","Naray-Szabo, I.; Argay, G.; Szabo, P.","The structure of the Ag(I,III) oxide phases","Acta Crystallographica (1,1948-23,1967)","1965","19","","180","184","10.1107/S0365110X65003043","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310094","10.05","","8.55","","4.47","","90","","90","","90","","384.096","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Fe3 B O6","","- B Fe3 O6 -","- B Fe3 O6 -","- B4 Fe12 O24 -","4","0.5","","White, J.G.; Nielsen, R.E.; Miller, A.","Fe3 B O6, a borate isostructural with the mineral norgergite","Acta Crystallographica (1,1948-23,1967)","1965","19","","1060","1061","10.1107/S0365110X6500498X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310099","3.276","","8.669","","3.157","","90","","90","","90","","89.658","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ta B","","- B Ta -","- B Ta -","- B4 Ta4 -","4","0.25","","Parthe, E.; Schob, O.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","10.1107/S0365110X65003134","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310100","3.1","","8.17","","2.98","","90","","90","","90","","75.474","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","V B","","- B V -","- B V -","- B4 V4 -","4","0.25","","Parthe, E.; Schob, O.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and CsCl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","10.1107/S0365110X65003134","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310102","7.5","","7.5","","7.5","","90","","90","","90","","421.875","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Y B12","","- B12 Y -","- B12 Y -","- B48 Y4 -","4","0.0208333","","Barrett, R.; Matkovic, V.I.; Giese, R.F.jr.; Economy, J.","The structure of metallic dodecaborides","Acta Crystallographica (1,1948-23,1967)","1965","19","","1056","1058","10.1107/S0365110X65004954","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310105","10.56","","8.2","","13.01","","90","","104.95","","90","","1088.43","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba O (B2 O3)2","","- B4 Ba O7 -","- B4 Ba O7 -","- B32 Ba8 O56 -","8","2","","Perloff, A.; Block, S.","The crystal structure of barium tetraborate, Ba O (B2 O3)2","Acta Crystallographica (1,1948-23,1967)","1965","19","","297","300","10.1107/S0365110X65003341","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310188","4.38","","6.29","","13.673","","90","","90","","90","","376.694","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ga4 Pu -","- Ga4 Pu -","- Ga16 Pu4 -","4","0.25","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of Pu Ga4 and Pu Ga6","Acta Crystallographica (1,1948-23,1967)","1965","19","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310189","5.942","","5.942","","7.617","","90","","90","","90","","268.936","","","","","","","","","","","","","2","P 4/n b m :1","P 4 2 -1ab","125","","","","- Ga6 Pu -","- Ga6 Pu -","- Ga12 Pu2 -","2","0.125","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of Pu Ga4 and Pu Ga6","Acta Crystallographica (1,1948-23,1967)","1965","19","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310215","8.467","","8.467","","6.158","","90","","90","","120","","382.322","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Pb3 Sc5 -","- Pb3 Sc5 -","- Pb6 Sc10 -","2","0.0833333","","Jeitschko, W.; Parthe, E.","Stannides and plumbides of Sc, Y, La and Ce with D8(8) structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","275","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310227","3.774","","3.774","","3.774","","90","","90","","90","","53.753","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho In -","- Ho In -","- Ho In -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, and Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310228","4.058","","4.058","","4.058","","90","","90","","90","","66.825","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Pt3 -","- Ho Pt3 -","- Ho Pt3 -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, and Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310243","4.022","","10.205","","3.895","","90","","90","","90","","159.868","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Sc -","- Ga Sc -","- Ga4 Sc4 -","4","0.25","","Schob, O.; Parthe, E.","A B compounds wit Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310244","4.302","","10.86","","4.073","","90","","90","","90","","190.289","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Y -","- Ga Y -","- Ga4 Y4 -","4","0.25","","Schob, O.; Parthe, E.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310248","4.9779","","4.9779","","24.449","","90","","90","","120","","524.667","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ni3 Y -","- Ni3 Y -","- Ni27 Y9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310249","5.181","","5.181","","25.2","","90","","90","","120","","585.812","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe3 Th -","- Fe3 Th -","- Fe27 Th9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310279","11.39","","11.39","","11.39","","90","","90","","90","","1477.65","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd Ni -","- Cd Ni -","- Cd48 Ni48 -","48","0.25","","Critchley, J.K.; Jeffery, J.W.","A determination of the crystal structure of Cd Ni","Acta Crystallographica (1,1948-23,1967)","1965","19","","674","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310290","2.9098","","2.9098","","2.9098","","90","","90","","90","","24.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.875 Mo0.125)","","- Fe0.875 Mo0.125 -","- Fe0.875 Mo0.125 -","- Fe1.75 Mo0.25 -","2","0.0208333","","Fuchs, A.; Ilschner, B.","Gitterkonstanten von Fe-Mo Legierungen mit Mo- Gehalten bis 20 Gew.%","Acta Crystallographica (1,1948-23,1967)","1965","19","","488","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","145136","2020-10-21","18:00:00",""
"2310306","3.745","","3.745","","3.745","","90","","90","","90","","52.524","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er In -","- Er In -","- Er In -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310307","3.704","","3.704","","3.704","","90","","90","","90","","50.817","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Tl -","- Er Tl -","- Er Tl -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, and Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310314","5.02","","5.02","","24.4","","90","","90","","120","","532.51","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co3 Y -","- Co3 Y -","- Co27 Y9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310315","5.148","","5.148","","24.62","","90","","90","","120","","565.062","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe3 Gd -","- Fe3 Gd -","- Fe27 Gd9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310324","9.605","","9.605","","9.605","","90","","90","","90","","886.119","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Cd11 Na2 -","- Cd11 Na2 -","- Cd33 Na6 -","3","0.125","","Wong Chihsiang; Chieh Chung; Lee Tseng-Yuh","The crystal structure of Na2 Cd11","Acta Crystallographica (1,1948-23,1967)","1965","19","","849","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310443","4.573","","7.325","","7.569","","90","","90","","90","","253.54","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Yb Zn2 -","- Yb Zn2 -","- Yb4 Zn8 -","4","0.25","","Michel, D.J.; Ryba, E.","The crystal structure of Yb Zn2","Acta Crystallographica (1,1948-23,1967)","1965","19","","687","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310947","4.57","","4.57","","4.57","","90","","90","","90","","95.444","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho In3 -","- Ho In3 -","- Ho In3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310948","3.72","","3.72","","3.72","","90","","90","","90","","51.479","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Tl -","- Ho Tl -","- Ho Tl -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000040","3.60504","0.00009","19.9293","0.0007","18.4841","0.0006","90","","100.503","0.002","90","","1305.76","0.07","296","","296","","","","","","","","kidney","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 K N8 O6 -","- C10 H7 K N8 O6 -","- C40 H28 K4 N32 O24 -","4","1","","Dominique Bazin; Michel Daudon; Erik Elkaim; Armel Le Bail; Lubomir Smrcok","Ab <i>initio</i> structure determination of kidney stone potassium quadriurate from synchrotron powder diffraction data, a 150 years problem solved","Comptes Rendus Chimie","2016","19","","1535","1541","10.1016/j.crci.2015.02.003","powder diffraction","","0.72442","synchrotron","","","","","","","","","3.2768","3.044","","","","","","","has coordinates","250906","2020-10-21","18:00:00",""
"4001280","8.155","0.002","13.526","0.006","5.9648","0.0015","90","","90","","90","","657.9","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- S3 Te Tl2 -","- S3 Te Tl2 -","- S12 Te4 Tl8 -","4","0.5","","Rieger, Franziska; Mudring, Anja-Verena","Synthesis, Structure, and Electronic and Physical Properties of Tl2TeS3, the First Characterized Thallium(I) Thiotellurate(IV)","Chemistry of Materials","2007","19","2","221","","10.1021/cm0526866","","","0.71073","MoKα","","0.1088","0.0541","","","0.0997","0.1136","","","","","","0.891","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001281","4.9407","0.0007","8.5277","0.0006","5.0184","0.0006","90","","109.141","0.015","90","","199.75","0.04","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li1.33 Mn0.67 O2 -","- Li1.33333 Mn0.666667 O2 -","- Li8 Mn4 O12 -","6","0.75","","Ngala, J. Katana; Alia, Shaun; Dobley, Arthur; Crisostomo, Vincent Mark B.; Suib, Steven L.","Characterization and Electrocatalytic Behavior of Layered Li2MnO3and Its Acid-Treated Form","Chemistry of Materials","2007","19","2","229","","10.1021/cm0616937","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.11392","","3.2","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001282","5.0512","0.0012","8.7065","0.0018","4.9045","0.0009","90","","109.196","0.016","90","","203.7","0.08","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li0.11 Mn0.34 O -","- Li0.106333 Mn0.33762 O -","- Li1.276 Mn4.05144 O12 -","12","1.5","","Ngala, J. Katana; Alia, Shaun; Dobley, Arthur; Crisostomo, Vincent Mark B.; Suib, Steven L.","Characterization and Electrocatalytic Behavior of Layered Li2MnO3and Its Acid-Treated Form","Chemistry of Materials","2007","19","2","229","","10.1021/cm0616937","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.12214","","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001283","10.864","0.002","4.448","0.0009","4.2396","0.0008","90","","90","","90","","204.87","0.07","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","β-Tin-tetraborate","Tin (II) - tetraborate","","- B4 O7 Sn -","- B4 O7 Sn -","- B8 O14 Sn2 -","2","0.5","","Knyrim, Johanna S.; Schappacher, Falko M.; Pöttgen, Rainer; Schmedt auf der Günne, Jörn; Johrendt, Dirk; Huppertz, Hubert","Pressure-Induced Crystallization and Characterization of the Tin Borate β-SnB4O7","Chemistry of Materials","2007","19","2","254","","10.1021/cm061946w","","","0.71073","MoKα","","0.0155","0.0145","","","0.0322","0.0324","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001284","21.496","0.004","30.23","0.006","25.858","0.005","90","","104.85","0.03","90","","16242","6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C191.26 H120 Mo6 N8 O19.5 -","- C191.194 H120 Mo5.9996 N8 O19.6102 -","- C764.776 H480 Mo23.9984 N32 O78.4408 -","4","0.5","","Kojima, Takahiko; Harada, Ryosuke; Nakanishi, Tatsuaki; Kaneko, Kenji; Fukuzumi, Shunichi","Porphyrin Nanotubes Based on Self-Assembly of Mo(V)−Dodecaphenylporphyrin Complexes and Inclusion of Mo−Oxo Clusters: Synthesis and Characterization by X-ray Crystallography and Transmission Electron Microscopy","Chemistry of Materials","2007","19","1","51","","10.1021/cm062031k","","","0.71073","MoKα","","0.0638","0.0605","","","0.1298","0.1315","","","","","","1.175","","","","has coordinates,has disorder","286259","2023-09-07","05:54:21",""
"4001285","5.8904","0.0003","7.6297","0.0004","8.154","0.0004","90","","90","","90","","366.46","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H2 Na Np O4 -","- H2 Na Np O4 -","- H8 Na4 Np4 O16 -","4","1","","Almond, Philip M.; Skanthakumar, S.; Soderholm, L.; Burns, Peter C.","Cation−Cation Interactions and Antiferromagnetism in Na[Np(V)O2(OH)2]: Synthesis, Structure, and Magnetic Properties","Chemistry of Materials","2007","19","2","280","","10.1021/cm0621040","","","0.71073","MoKα","","0.0161","0.0152","","","0.0349","0.0351","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001286","7.4158","0.0009","4.618","0.0009","7.8577","0.0008","90","","90","","90","","269.1","0.07","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Rh Sb -","- Ce Rh Sb -","- Ce4 Rh4 Sb4 -","4","0.5","","Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.","Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2","Chemistry of Materials","2007","19","1","28","","10.1021/cm062168a","","","0.71073","MoKα","","0.0661","0.0434","","","0.0873","0.096","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001287","7.422","0.002","4.625","0.002","7.877","0.002","90","","90","","90","","270.39","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Rh Sb -","- Ce Rh Sb -","- Ce4 Rh4 Sb4 -","4","0.5","","Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.","Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2","Chemistry of Materials","2007","19","1","28","","10.1021/cm062168a","","","0.71073","MoKα","","0.0723","0.0561","","","0.1409","0.1444","","","","","","1.224","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001288","8.1795","0.0015","14.494","0.003","26.543","0.004","90","","97.8","0.013","90","","3117.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Br N O -","- C14 H28 Br N O -","- C112 H224 Br8 N8 O8 -","8","2","","Villaescusa, L. A.; Díaz, I.; Barrett, P. A.; Nair, S.; LLoris-Cormano, J. M.; Martínez-Mañez, R.; Tsapatsis, M.; Liu, Z.; Terasaki, O.; Camblor, M. A.","Pure Silica Large Pore Zeolite ITQ-7: Synthetic Strategies, Structure-Directing Effects, and Control and Nature of Structural Disorder","Chemistry of Materials","2007","19","7","1601","","10.1021/cm0622248","","","0.71073","MoKα","","0.1037","0.0581","","0.1958","0.1425","","","","1.085","1.109","1.109","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001289","24.9728","0.0006","24.9728","0.0006","9.8957","0.0002","90","","90","","90","","6171.4","0.2","200","2","200","2","","","","","","","synthesis as described","5","I 4 c m","I 4 -2c","108","","","","- C30 H112 Ge36 N10 O92 -","- C30 H112 Ge36 N10 O92 -","- C60 H224 Ge72 N20 O184 -","2","0.125","","Attfield, Martin P.; Al-Ebini, Yousef; Pritchard, Robin G.; Andrews, Ellen M.; Charlesworth, Richard J.; Hung, Wan; Masheder, Ben J.; Royal, Drew S.","Synthesis and Characterization of a Novel Germanate Material Containing 16-Ring Channels and Templated by a Simple Primary Amine","Chemistry of Materials","2007","19","2","316","","10.1021/cm062241x","","x-ray","0.71073","MoKα","","0.0347","0.027","","","0.0577","0.0598","","","","","","0.973","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001290","16.4891","0.0009","3.9705","0.0002","21.1266","0.0011","90","","90","","90","","1383.16","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium erbium sulfide","","","- Ce3 Er3 S9 -","- Ce3 Er3 S9 -","- Ce12 Er12 S36 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0292","0.027","","","0.0667","0.0675","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001291","16.4591","0.0013","3.9704","0.0003","21.0908","0.0017","90","","90","","90","","1378.27","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium thulium sulfide","","","- Ce3 S9 Tm3 -","- Ce3 S9 Tm3 -","- Ce12 S36 Tm12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0338","0.03","","","0.0719","0.0735","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001292","16.3678","0.001","3.9562","0.0002","21.0577","0.0012","90","","90","","90","","1363.58","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium ytterbium sulfide","","","- Ce3 S9 Yb3 -","- Ce3 S9 Yb3 -","- Ce12 S36 Yb12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0297","0.0286","","","0.0798","0.0803","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001293","16.5102","0.001","3.9963","0.0002","21.2597","0.0013","90","","90","","90","","1402.71","0.14","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum erbium sulfide","","","- Er3 La3 S9 -","- Er3 La3 S9 -","- Er12 La12 S36 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0328","0.0297","","","0.068","0.0692","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001294","16.45","0.0009","3.9877","0.0002","21.2148","0.0012","90","","90","","90","","1391.64","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum thulium sulfide","","","- La3 S9 Tm3 -","- La3 S9 Tm3 -","- La12 S36 Tm12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0338","0.0282","","","0.0727","0.0744","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001295","16.41","0.0013","3.9847","0.0003","21.2015","0.0017","90","","90","","90","","1386.34","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum ytterbium sulfide","","","- La3 S9 Yb3 -","- La3 S9 Yb3 -","- La12 S36 Yb12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0383","0.0328","","","0.066","0.0672","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001296","6.4703","0.0013","12.839","0.0007","20.797","0.004","90","","90","","90","","1727.7","0.5","293","2","293","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C4 H14 Cl2 I4 N2 Pb -","- C4 H14 Cl2 I4 N2 Pb -","- C16 H56 Cl8 I16 N8 Pb4 -","4","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0395","","","","0.0984","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001297","8.7534","0.001","8.747","0.001","12.72","0.002","90","","97.63","0.01","90","","965.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0339","","","","0.072","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001298","9.1263","0.001","9.1429","0.001","21.45","0.002","90","","98.65","0.001","90","","1769.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0408","","","","0.1032","","","","","","1.053","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001299","6.4824","0.0003","12.9046","0.0008","21.1409","0.0016","90","","90","","90","","1768.5","0.19","293","2","293","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","0.0621","0.0396","","","0.0816","0.0894","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001300","13.609","0.002","27.181","0.005","13.617","0.003","90","","92.463","0.012","90","","5032.4","1.6","173","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N14 O13 Zn4 -","- C38 H34 N14 O13 Zn4 -","- C152 H136 N56 O52 Zn16 -","4","1","","Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.","Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid","Chemistry of Materials","2007","19","6","1302","","10.1021/cm0623918","","","0.71073","MoKα","","0.265","0.1033","","","0.2347","0.2742","","","","","","0.942","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001301","30.978","0.006","12.62","0.003","13.339","0.003","90","","90","","90","","5215","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H34 N14 O14 Zn4 -","- C38 H34 N14 O14 Zn4 -","- C152 H136 N56 O56 Zn16 -","4","1","","Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.","Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid","Chemistry of Materials","2007","19","6","1302","","10.1021/cm0623918","","x-ray","0.49594","synchrotron","","0.117","0.1103","","","0.2743","0.2837","","","","","","1.236","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001302","5.566661","0.000021","5.566118","0.000021","7.919158","0.000017","89.9907","0.0019","89.9723","0.0009","89.9962","0.0018","245.373","0.0014","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg Mo O6 Sr2 -","- Mg Mo O6 Sr2 -","- Mg2 Mo2 O12 Sr4 -","2","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001303","5.3954","0.0004","5.3954","","12.0264","0.0018","90","","90","","90","","350.09","0.06","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo O4 Sr -","- Mo O4 Sr -","- Mo4 O16 Sr4 -","4","0.25","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001304","5.56906","0.00004","5.57039","0.00004","7.92407","0.00005","89.978","0.006","90.01","0.004","90.015","0.0034","245.819","0.003","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg Mo O6 Sr2 -","- Mg Mo O6.0018 Sr2 -","- Mg2 Mo2 O12.0036 Sr4 -","2","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","neutron","","","","","","","","","","0.04862","","2.11","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001305","5.569801","0.000016","5.569576","0.000016","7.923807","0.000017","89.9878","0.0012","89.9992","0.0022","90.0048","0.0016","245.808","0.0011","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg0.5 Mo0.5 O3 Sr -","- Mg0.5 Mo0.5 O3 Sr -","- Mg2 Mo2 O12 Sr4 -","4","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001306","5.4113","0.0015","5.4113","","12.056","0.006","90","","90","","90","","353","0.2","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo O4 Sr -","- Mo O4 Sr -","- Mo4 O16 Sr4 -","4","0.25","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001307","5.572983","0.000031","5.5775","0.00004","7.92131","0.00004","89.9397","0.0008","90.0234","0.0009","89.9524","0.0007","246.22","0.003","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg Mo O5.97 Sr2 -","- Mg Mo O5.968 Sr2 -","- Mg2 Mo2 O11.936 Sr4 -","2","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001308","3.14683","0.0001","3.14683","","3.14683","","90","","90","","90","","31.1616","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001309","4.21214","0.00006","4.21214","","4.21214","","90","","90","","90","","74.7323","0.0011","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001310","3.95288","0.00015","3.95288","","20.437","0.005","90","","90","","90","","319.33","0.08","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Mg0.14 Mo0.52 O2.15 Sr -","- Mg0.143867 Mo0.5228 O2.15167 Sr -","- Mg0.8632 Mo3.1368 O12.91 Sr6 -","6","0.1875","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001311","4.93095","","4.93095","","4.93095","","90","","90","","90","","119.892","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001312","5.571514","0.000015","5.57772","0.00004","7.92034","0.00004","89.8921","0.0007","89.987","0.0003","89.923","0.0005","246.135","0.002","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg0.5 Mo0.5 O3 Sr -","- Mg0.5 Mo0.5 O3 Sr -","- Mg2 Mo2 O12 Sr4 -","4","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001313","3.146092","0.00003","3.146092","","3.146092","","90","","90","","90","","31.1397","0.0003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001314","4.21041","0.00015","4.21041","","4.21041","","90","","90","","90","","74.64","0.003","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001315","3.938952","0.000008","3.938952","","20.365","0.004","90","","90","","90","","315.97","0.06","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Mg0.43 Mo1.57 O7 Sr3 -","- Mg0.432 Mo1.568 O7 Sr3 -","- Mg0.864 Mo3.136 O14 Sr6 -","2","0.0625","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001316","3.1932","0.0015","3.1932","0.0015","5.185","0.003","90","","90","","120","","45.79","0.04","100","2","100","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ga0.96 Mn0.04 N -","- Ga0.96 Mn0.04 N -","- Ga1.92 Mn0.08 N2 -","2","0.166667","","Kaminski, Michal; Podsiadlo, Slawomir; Dominik, Pawel; Wozniak, Krzysztof; Dobrzycki, Lukasz; Jakiela, Rafal; Barcz, Adam; Psoda, Marek; Mizera, Jaroslaw; Bacewicz, Rajmund; Zajac, Marcin; Twardowski, Andrzej","New Chemical Method of Obtaining Thick Ga1-xMnxN Layers: Prospective Spintronic Material","Chemistry of Materials","2007","19","13","3139","","10.1021/cm062459j","","","0.71073","MoKα","","0.0111","0.0084","","","0.0198","0.0201","","","","","","1.32","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001317","7.3803","0.0007","9.1577","0.0008","17.0898","0.0016","90","","90","","90","","1155.04","0.18","193","2","193","2","","","","","","","","5","I m m m","-I 2 2","71","potassium uranyl vanadium phosphate","","","- K3.48 O26 P5 U V4 -","- K3.476 O26 P5 U V4 -","- K6.952 O52 P10 U2 V8 -","2","0.125","","Shvareva, Tatiana Y.; Skanthakumar, S.; Soderholm, L.; Clearfield, Abraham; Albrecht-Schmitt, Thomas E.","Cs±Selective Ion Exchange and Magnetic Ordering in a Three-Dimensional Framework Uranyl Vanadium(IV) Phosphate","Chemistry of Materials","2007","19","2","132","","10.1021/cm062490l","","","0.71073","MoKα","","0.0277","0.0258","","","0.0617","0.0622","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001318","6.42072","0.00012","6.42072","","10.67623","0.00021","90","","90","","90","","440.134","0.012","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- F Na3 O10.37 P2 Ti2 -","- F Na3 O10.3688 P2 Ti2 -","- F2 Na6 O20.7375 P4 Ti4 -","2","0.0625","","Yang, Sihai; Li, Guobao; You, Liping; Tao, Julian; Loong, Chun-K.; Tian, Shujian; Liao, Fuhui; Lin, Jianhua","Na3[Ti2P2O10F]: A New Oxyfluorinated Titanium Phosphate with an Ionic Conductive Property","Chemistry of Materials","2007","19","4","942","","10.1021/cm062513w","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001319","19.403","0.003","5.8078","0.0005","17.032","0.002","90","","113.424","0.015","90","","1761.1","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(5-bromothioph-2-yl)-2-(2-(5-bromothiophen-2-yl)- 1,3-dioxolan-2-yl)ethyl)-1,3-dioxolane","","- C16 H16 Br2 O4 S2 -","- C16 H16 Br2 O4 S2 -","- C64 H64 Br8 O16 S8 -","4","0.5","","Ellinger, Stefan; Ziener, Ulrich; Thewalt, Ulf; Landfester, Katharina; Möller, Martin","Synthesis and Self-Organization of α,ω-Substituted Oligothiophenes with Long, Branched Alkyl Substituents","Chemistry of Materials","2007","19","5","1070","","10.1021/cm062589s","","","0.71073","MoKα","","0.0498","0.0291","","","0.0541","0.0579","","","","","","0.998","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001320","10.059","0.002","8.225","0.0018","8.6557","0.0019","90","","114.62","0.002","90","","651","0.2","294","2","294","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- Cd Na2 O8 S2 -","- Cd Na2 O8 S2 -","- Cd4 Na8 O32 S8 -","4","0.5","","Swain, Diptikanta; Guru Row, Tayur N.","Structure, Ionic Conduction and Dielectric Relaxation in a Novel Fast Ion Conductor, Na2Cd(SO4)2","Chemistry of Materials","2007","19","3","347","","10.1021/cm0626637","","","0.71073","MoKα","","0.0184","0.0182","","","0.0466","0.0468","","","","","","1.148","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001321","8.0795","0.0005","23.465","0.0014","13.1145","0.0008","90","","93.062","0.001","90","","2482.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1158 cs SKA161 Ir(PhPy)2(OxNO2) xx1","(OC-6-42)-bis(κ^2^(C^2^,N)-2-phenylpyridine) (κ^2^(N,O)-5-nitro-8-quinolinolate)iridium(III)","","- C31 H21 Ir N4 O3 -","- C31 H21 Ir N4 O3 -","- C124 H84 Ir4 N16 O12 -","4","1","","Kappaun, Stefan; Sax, Stefan; Eder, Sabrina; Möller, Kai C.; Waich, Kerstin; Niedermair, Fabian; Saf, Robert; Mereiter, Kurt; Jacob, Josemon; Müllen, Klaus; List, Emil J. W.; Slugovc, Christian","8-Quinolinolates as Ligands for Luminescent Cyclometalated Iridium Complexes","Chemistry of Materials","2007","19","6","1209","","10.1021/cm062666j","","","0.71073","MoKα","","0.0591","0.0485","","","0.1022","0.1083","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001322","7.984","0.002","7.984","0.002","7.688","0.002","90","","90","","120","","424.41","0.19","410","","410","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ag10 Br3 Te4 -","- Ag9.988 Br3 Te4.026 -","- Ag9.988 Br3 Te4.026 -","1","0.0416667","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.0707","0.0308","","","0.0638","0.0709","","","","1.7","1.7","1.19","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001323","13.748","0.002","13.748","0.002","15.383","0.002","90","","90","","120","","2518","0.6","340","","340","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag10 Br3 Te4 -","- Ag10.0087 Br3 Te4.00933 -","- Ag60.052 Br18 Te24.056 -","6","0.25","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.1531","0.0369","","","0.0536","0.0696","","","","1.36","1.36","0.82","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001324","15.374","0.001","15.772","0.001","13.715","0.001","90","","90","","90","","3325.6","0.4","","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","0.5","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.1374","0.058","","","0.0629","0.0688","","","","1.9","1.9","1.25","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001325","15.4004","0.0009","15.6539","0.0012","13.6987","0.0008","90","","90","","90","","3302.4","0.4","223","","223","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","1","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71071","MoKα","","0.0532","0.0346","","","0.0524","0.0541","","","","1.51","1.51","1.27","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001326","21.881","0.011","7.07","0.003","26.967","0.013","90","","90","","90","","4172","3","294","2","294","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C128 H156 Co12 O114 Zn8 -","- C128 H88 Co12 O114 Zn8 -","- C128 H88 Co12 O114 Zn8 -","1","0.125","","Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.","Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation","Chemistry of Materials","2007","19","9","2162","","10.1021/cm062801s","","","0.71073","MoKα","","0.1479","0.126","","","0.2851","0.2947","","","","","","1.319","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001327","6.9872","0.0014","26.781","0.005","21.822","0.004","90","","92.1","0.03","90","","4080.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H156 Co12 O114 Zn8 -","- C128 H120 Co12 O114 Zn8 -","- C128 H120 Co12 O114 Zn8 -","1","0.25","","Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.","Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation","Chemistry of Materials","2007","19","9","2162","","10.1021/cm062801s","","","0.71073","MoKα","","0.0616","0.0517","","","0.1193","0.1231","","","","","","1.154","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001328","15.3536","0.0004","15.332","0.0004","21.82526","0.00031","90","","90.051","0.005","90","","5137.7","0.2","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Bi2 Hf2 O7 -","- Bi2 Hf2 O7 -","- Bi64 Hf64 O224 -","32","16","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","neutron","","","","","","","","","","0.0286","","1.34","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001329","7.68966","0.000032","7.68966","","10.85169","0.00008","90","","90","","90","","641.67","0.005","","","","","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","","","- Bi2 Hf2 O7 -","- Bi2 Hf2 O7 -","- Bi8 Hf8 O28 -","4","0.25","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","neutron","","","","","","","","","","0.09258","","1.24","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001330","10.877908","0.000025","10.877908","","10.877908","","90","","90","","90","","1287.17","0.003","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi2 Hf2 O7 -","- Bi2.00004 Hf2 O7 -","- Bi16.0003 Hf16 O56 -","8","0.0416667","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001331","5.1501","0.0004","5.1852","0.0005","5.3418","0.0005","90","","98.948","0.007","90","","140.91","0.02","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Hf O2 -","- Hf O2 -","- Hf4 O8 -","4","1","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001332","5.6963","0.0008","5.6963","0.0008","28.924","0.006","90","","90","","120","","812.8","0.2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","barium cobalt oxide","","","- Ba6 Co27 O42 -","- Ba2 Co9 O14 -","- Ba6 Co27 O42 -","3","0.0833333","","Ehora, Ghislaine; Daviero-Minaud, Sylvie; Colmont, Marie; André, Gilles; Mentré, Olivier","Ba2Co9O14: New Inorganic Building Blocks with Magnetic Ordering through Super-Super Exchanges Only","Chemistry of Materials","2007","19","9","2180","","10.1021/cm062897q","","","0.71073","MoKα","","0.0509","0.0444","","","0.1096","0.112","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001333","13.0395","0.0014","13.0395","0.0014","13.0346","0.0014","90","","90","","120","","1919.3","0.4","295","2","295","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","cadmium antimonide (12.7/10)","cadmium antimonide (12.7/10)","","- Cd12.73 Sb10 -","- Cd12.72 Sb10 -","- Cd38.16 Sb30 -","3","0.0833333","","Zelinska, Oksana Ya.; Bie, Haiying; Mar, Arthur","Structure of Cd12.7(1)Sb10","Chemistry of Materials","2007","19","6","1518","","10.1021/cm0629659","","","0.71073","MoKα","","0.0433","0.0371","","","0.0832","0.0848","","","","","","1.317","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001334","11.791","0.002","23.168","0.005","25.506","0.005","90","","103.17","0.03","90","","6784","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H61 Cl12 Mn N11 Nb6 O6 -","- C37.5 H54 Cl12 Mn N11 Nb6 O6 -","- C150 H216 Cl48 Mn4 N44 Nb24 O24 -","4","1","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.0847","0.0592","","","0.1231","0.1334","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001335","13.1663","0.0017","23.426","0.003","23.615","0.003","90","","90","","90","","7283.7","1.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H68 Cl12 Mn2 N12 Nb6 O6 -","- C52 H60 Cl12 Mn2 N12 Nb6 O6 -","- C208 H240 Cl48 Mn8 N48 Nb24 O24 -","4","0.5","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.1014","0.062","","","0.1082","0.1219","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001336","26.465","0.005","15.578","0.003","21.87","0.004","90","","111.31","0.03","90","","8400","3","193","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 Cl12 Mn3 N17 Nb6 O6 -","- C54 H66 Cl12 Mn3 N17 Nb6 O6 -","- C216 H264 Cl48 Mn12 N68 Nb24 O24 -","4","1","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.1113","0.068","","","0.1335","0.1519","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001337","17.5632","0.0004","17.5632","0.0004","17.5632","0.0004","90","","90","","90","","5417.6","0.2","113","2","113","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","","","","- C9 H54 Al7 N3 O45 P9 -","- C10.5 H22.95 Al7 N3 O44.98 P9 -","- C42 H91.8 Al28 N12 O179.92 P36 -","4","0.166667","","Lu, Ailing; Song, Haibin; Li, Niu; Xiang, Shouhe; Guan, Naijia; Wang, Honggen","Novel Large Aluminophosphite Cage Unit as the Building Blocks To Form a Framework Structure Containing Multidimensional 12-Ring Channels","Chemistry of Materials","2007","19","17","4142","","10.1021/cm063032f","","","0.7107","MoKα","","0.0687","0.0653","","","0.1795","0.183","","","","","","1.131","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001338","11.276","0.0002","8.917","0.001","38.176","0.006","90","","91.96","0.001","90","","3836.3","0.7","295","","295","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Co N7 O2 S32 -","- C54 H52 Co N7 O2 S32 -","- C108 H104 Co2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71069","MoKα","","0.0809","0.0511","","","0.1493","0.178","","","","","","0.98","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001339","11.2307","0.0003","8.8363","0.0002","37.9637","0.001","90","","91.934","0.001","90","","3765.29","0.16","200","","200","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Co N7 O2 S32 -","- C54 H52 Co N7 O2 S32 -","- C108 H104 Co2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.0995","0.0614","","","0.1422","0.1685","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001340","10.9798","0.0005","8.8047","0.0004","38.5794","0.0018","90","","90.152","0.002","90","","3729.6","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Co N7 O2 S32 -","- C54 H52 Co N7 O2 S32 -","- C108 H104 Co2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.0908","0.0727","","","0.1984","0.22","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001341","11.261","0.005","8.941","0.005","38.433","0.005","90","0.005","91.463","0.005","90","0.005","3868","3","295","","295","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Fe N7 O2 S32 -","- C54 H52 Fe N7 O2 S32 -","- C108 H104 Fe2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71069","MoKα","","0.0589","0.0403","","","0.1149","0.1463","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001342","11.2203","0.0003","8.8587","0.0003","38.0541","0.0011","90","","91.86","0.009","90","","3780.5","0.2","200","","200","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Fe N7 O2 S32 -","- C54 H52 Fe N7 O2 S32 -","- C108 H104 Fe2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.0592","0.0412","","","0.1124","0.1402","","","","","","0.975","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001343","11.0498","0.0006","8.8371","0.0006","38.573","0.003","90","","90.142","0.001","90","","3766.6","0.4","106","","106","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Fe N7 O2 S32 -","- C54 H52 Fe N7 O2 S32 -","- C108 H104 Fe2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.1094","0.0778","","","0.2076","0.2281","","","","","","1.382","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001344","15.808","0.002","20.981","0.003","22.635","0.004","90","","103.635","0.003","90","","7295.7","1.9","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Ca4 O14 -","- C72 H102 Ca4 O14 -","- C288 H408 Ca16 O56 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.211","0.0897","","","0.2174","0.286","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001345","12.5656","0.0008","16.0295","0.001","21.1322","0.0014","90","","92.3","0.001","90","","4253","0.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82 H122 Ca4 O15 -","- C78 H114 Ca4 O14 -","- C156 H228 Ca8 O28 -","2","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.069","0.0519","","","0.1424","0.1524","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001346","9.299","0.0013","14.164","0.002","13.927","0.002","90","","101.17","0.003","90","","1799.6","0.4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Ca O6 -","- C36 H58 Ca O6 -","- C72 H116 Ca2 O12 -","2","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0634","0.0473","","","0.112","0.1215","","","","","","1.026","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001347","40.75","0.009","16.333","0.004","19.166","0.004","90","","111.12","0.004","90","","11899","5","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C116 H190 Ca3 O17 -","- C112 H182 Ca3 O16 -","- C448 H728 Ca12 O64 -","4","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.1312","0.0686","","","0.1593","0.1836","","","","","","0.973","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001348","19.951","0.008","14.435","0.006","21.707","0.009","90","","99.677","0.007","90","","6163","4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Ca2 O8 -","- C64 H100 Ca2 O8 -","- C256 H400 Ca8 O32 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.092","0.0578","","","0.1172","0.1333","","","","","","1.05","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001349","21.576","0.003","9.778","0.0013","19.013","0.003","90","","90","","90","","4011.2","1","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C40 H66 Ca O5 -","- C40 H66 Ca O5 -","- C160 H264 Ca4 O20 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0792","0.051","","","0.101","0.1127","","","","","","1.003","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001350","9.8317","0.0015","14.02","0.002","19.104","0.003","90","","95.659","0.003","90","","2620.5","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Ca2 O4 -","- C56 H84 Ca2 O4 -","- C112 H168 Ca4 O8 -","2","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0609","0.0472","","","0.1145","0.1241","","","","","","1.033","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001351","12.2051","0.0015","12.8757","0.0016","15.8624","0.0019","93.792","0.002","90.235","0.002","103.998","0.002","2412.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Ca O6 Si2 -","- C52 H62 Ca O6 Si2 -","- C104 H124 Ca2 O12 Si4 -","2","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.1048","0.062","","","0.1317","0.1505","","","","","","1.029","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001352","15.269","0.002","15.269","0.002","10.336","0.003","90","","90","","120","","2086.9","0.7","293","2","293","2","","","","","","","","8","P 63 m c","P 6c -2c","186","","","","- C12 H40 Al0.57 Cr0.1 N2 O16 P4 Zn2 -","- C12 Al0.57 Cr0.0966667 N2 O16.02 P4 Zn2 -","- C36 Al1.71 Cr0.29 N6 O48.06 P12 Zn6 -","3","0.25","","Yang, Yali; Li, Niu; Song, Haibin; Wang, Honggen; Chen, Wenbin; Xiang, Shouhe","Metal Phosphite Containing 24-Ring Channels with 10-Ring Windows","Chemistry of Materials","2007","19","8","1889","","10.1021/cm070026q","","","0.71073","MoKα","","0.0565","0.0486","","","0.1405","0.1518","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001353","10.086","0.002","17.585","0.005","10.811","0.003","90","","111.538","0.007","90","","1783.6","0.8","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis-tert-butylthiolatobistrimethylphosphinetetracopper(I)","","- C22 H54 Cu4 P2 S4 -","- C22 H54 Cu4 P2 S4 -","- C44 H108 Cu8 P4 S8 -","2","0.5","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0593","0.0397","","","0.089","0.0968","","","","","","1.068","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001354","8.8065","0.0006","11.6863","0.0008","19.7851","0.0014","90","","96.134","0.001","90","","2024.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis-tert-butylthiolatobistriethylphosphinetetracopper(I)","","- C28 H66 Cu4 P2 S4 -","- C28 H66 Cu4 P2 S4 -","- C56 H132 Cu8 P4 S8 -","2","0.5","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0302","0.0275","","","0.0732","0.075","","","","","","1.036","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001355","18.353","0.004","18.319","0.004","20.182","0.005","90","","94.346","0.004","90","","6766","3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakistrimethylphosphinecopper(I)hexakis-tert-butylthiolatopentacuprate(I)","","- C40 H58 Cu6 O P4 S6 -","- C40 H98 Cu6 O P4 S6 -","- C160 H392 Cu24 O4 P16 S24 -","4","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.1205","0.0756","","","0.2053","0.2351","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001356","10.7396","0.001","10.7984","0.001","20.278","0.002","90","","93.61","0.002","90","","2347","0.4","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Hexakis-tert-butylthiolatobistrimethylphosphinehexacopper(I)","","- C30 H72 Cu6 P2 S6 -","- C30 H72 Cu6 P2 S6 -","- C60 H144 Cu12 P4 S12 -","2","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0438","0.0334","","","0.0738","0.0777","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001357","14.509","0.002","14.509","0.002","19.946","0.003","77.194","0.002","77.194","0.002","61.54","","3566.5","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Octakis-tert-butylthiolatobistrimethylphosphineoctacopper(I)","","- C52 H106 Cu8 P2 S8 -","- C52 H106 Cu8 P2 S8 -","- C104 H212 Cu16 P4 S16 -","2","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0421","0.0287","","","0.0643","0.0672","","","","","","0.969","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001358","39.063","0.01","5.3131","0.0013","9.677","0.002","90","","94.6","0.004","90","","2001.9","0.8","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[AlPO4(OH)](NH3C2H4C6H5)","","- C32 H52 Al4 N4 O20 P4 -","- C32 H52 Al4 N4 O20 P4 -","- C64 H104 Al8 N8 O40 P8 -","2","0.25","","Dorner, Robert W.; Deifallah, Malek; Coombes, David S.; Catlow, C. R. A.; Corà, Furio","Synthesis and Structure Determination of a Novel Layered Aluminophosphate Material Templated with 1-Phenylethylamine: [AlPO4(OH)](NH3C2H4C6H5)","Chemistry of Materials","2007","19","9","2261","","10.1021/cm070106u","","","0.6869","synchrotron","","0.107","0.0632","","0.1281","0.0721","0.0721","","","","","","1.7119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001359","7.6053","0.0005","41.913","0.003","11.0306","0.0007","90","","90.078","0.001","90","","3516.1","0.4","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,2':5',2'':5'',2''':5''',3''''-quinquethiophene","","- C20 H12 S5 -","- C20 H12 S5 -","- C160 H96 S40 -","8","2","","Chisaka, Jiro; Lu, Ming; Nagamatsu, Shuichi; Chikamatsu, Masayuki; Yoshida, Yuji; Goto, Midori; Azumi, Reiko; Yamashita, Masafumi; Yase, Kiyoshi","Structure and Electrical Properties of Unsubstituted Oligothiophenes End-Capped at the β-Position","Chemistry of Materials","2007","19","10","2694","","10.1021/cm0701658","","","0.71073","MoKα","","0.054","0.0471","","","0.1312","0.1402","","","","","","1.068","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001360","22.447","0.002","7.7159","0.0007","5.9918","0.0006","90","","91.434","0.002","90","","1037.45","0.17","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,2':5',2'':5'',2''':5''',2'''':5'''',3'''''-sexithiophene","","- C24 H14 S6 -","- C24 H14 S6 -","- C48 H28 S12 -","2","0.5","","Chisaka, Jiro; Lu, Ming; Nagamatsu, Shuichi; Chikamatsu, Masayuki; Yoshida, Yuji; Goto, Midori; Azumi, Reiko; Yamashita, Masafumi; Yase, Kiyoshi","Structure and Electrical Properties of Unsubstituted Oligothiophenes End-Capped at the β-Position","Chemistry of Materials","2007","19","10","2694","","10.1021/cm0701658","","","0.71073","MoKα","","0.0485","0.0438","","","0.1376","0.1511","","","","","","1.114","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001361","4.96524","0.00006","7.96358","0.0001","5.7484","0.00005","90","","90","","90","","227.298","0.004","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001362","3.0287","0.0006","3.0287","","3.0287","","90","","90","","90","","27.782","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001363","4.96259","0.00005","7.96782","0.00008","5.74186","0.00004","90","","90","","90","","227.039","0.004","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001364","3.0267","0.0005","3.0267","","3.0267","","90","","90","","90","","27.727","0.005","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001365","5.652","","5.652","","18.828","","90","","90","","120","","520.882","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Co3.667 Ga0.667 O8.667 -","- Ba2 Co3.66667 Ga0.666667 O8.66667 -","- Ba6 Co11 Ga2 O26 -","3","0.25","","Pelloquin, D.; Pérez, O.; Martinet, G.; Hébert, S.; Maignan, A.","The Oxide Ba6Ga2Co11O26: A New Close-Packed Stacking Derived from the Hexagonal Perovskite","Chemistry of Materials","2007","19","10","2658","","10.1021/cm0702823","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001366","10.343","0.0002","10.343","0.0002","9.756","0.0003","90","","90","","120","","903.85","0.04","150","2","150","2","","","","","","","","4","P 63","P 6c","173","","","","- C12 H27 S3 Sb -","- C12 H27 S3 Sb -","- C24 H54 S6 Sb2 -","2","0.333333","","Castro, Jorge Rodriguez-; Dale, Phillip; Mahon, Mary F.; Molloy, Kieran C.; Peter, Laurie M.","Deposition of Antimony Sulfide Thin Films from Single-Source Antimony Thiolate Precursors","Chemistry of Materials","2007","19","13","3219","","10.1021/cm070405j","","","0.71073","MoKα","","0.0637","0.0339","","","0.0702","0.0792","","","","","","1.063","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001367","12.081","0.007","5.645","0.002","23.804","0.012","90","","103.45","0.02","90","","1578.8","1.3","293","1","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K Mn O4 V -","- K Mn O4 V -","- K16 Mn16 O64 V16 -","16","4","","Yahia, H. Ben; Gaudin, E.; Lee, C.; Whangbo, M.-H.; Darriet, J.","Structural and Magnetic Properties of a New Type of Ordered Oxygen-Deficient Perovskite, KMnVO4","Chemistry of Materials","2007","19","23","5563","","10.1021/cm070452b","","","0.71069","MoKα","","0.0304","0.0304","","","0.0733","0.0733","","","","1.31","1.31","1.31","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001368","4.6807","0.0008","8.334","0.0013","18.206","0.003","86.392","0.003","83.962","0.003","88.2","0.003","704.6","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","ndi-8br2","N,N'-bis(n-octyl)-2,6-dibromonaphthalene-1,4:5,8-tetracarboxylicdiimide","","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","1","0.5","","Jones, Brooks A.; Facchetti, Antonio; Marks, Tobin J.; Wasielewski, Michael R.","Cyanonaphthalene Diimide Semiconductors for Air-Stable, Flexible, and Optically Transparent n-Channel Field-Effect Transistors","Chemistry of Materials","2007","19","11","2703","","10.1021/cm0704579","","","0.71073","MoKα","","0.0501","0.0399","","","0.0969","0.1019","","","","","","1.002","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001369","5.6683","0.0005","5.6683","0.0005","14.277","0.003","90","","90","","120","","397.26","0.1","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","barium cobalt oxyfluorure","","","- Ba6 Co6 F O16 -","- Ba6 Co6 F O15.99 -","- Ba6 Co6 F O15.99 -","1","0.0833333","","Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier","New BaCoO3-δPolytypes by Rational Substitution of O2-for F-","Chemistry of Materials","2007","19","12","2924","","10.1021/cm070576o","","","0.71073","MoKα","","0.0164","0.016","","","0.0346","0.0348","","","","","","1.194","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001370","5.6878","0.0005","5.6878","0.0005","23.701","0.005","90","","90","","120","","664.03","0.16","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","barium cobalt oxyfluorure","","","- Ba5 Co5 F O13 -","- Ba10 Co10 F2 O25.98 -","- Ba10 Co10 F2 O25.98 -","1","0.0416667","","Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier","New BaCoO3-δPolytypes by Rational Substitution of O2-for F-","Chemistry of Materials","2007","19","12","2924","","10.1021/cm070576o","","","0.71073","MoKα","","0.0392","0.0275","","","0.0574","0.0601","","","","","","1.263","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001371","27.5001","0.0004","11.99777","0.00018","7.25373","0.00011","90","","90","","90","","2393.29","0.06","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 N2 O21 P6 Pr2 -","- C6 H18 N2 O21 P6 Pr2 -","- C24 H72 N8 O84 P24 Pr8 -","4","0.5","","Cunha-Silva, Luís; Mafra, Luís; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Almeida Paz, Filipe A.","Photoluminescent Lanthanide−Organic 2D Networks: A Combined Synchrotron Powder X-ray Diffraction and Solid-State NMR Study","Chemistry of Materials","2007","19","14","3527","","10.1021/cm070596q","powder diffraction","","","X-ray","","","","","","","","","5.6443","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001372","9.0682","0.0002","9.5114","0.0003","14.0066","0.0004","74.975","0.002","86.534","0.002","82.725","0.002","1156.91","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H15 Na Nd3 O25 P -","- C9 H15 Na Nd3 O25 P -","- C18 H30 Na2 Nd6 O50 P2 -","2","1","","Huang, Ya-Ling; Huang, Meow-Yu; Chan, Tsung-Han; Chang, Bor-Chen; Lii, Kwang-Hwa","Synthesis, Structural Characterization, and Luminescence Properties of Lanthanide Oxalatophosphonates: Na[M3(H2O)4(C2O4)4(CH3PO3)]·2H2O (M = Nd and Pr)","Chemistry of Materials","2007","19","13","3232","","10.1021/cm070602i","","","0.71073","MoKα","","0.0227","0.0172","","","0.0348","0.0353","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001373","9.1254","0.0011","9.5493","0.0012","14.0728","0.0017","75.086","0.002","86.611","0.002","82.545","0.002","1174.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H15 Na O25 P Pr3 -","- C9 H3 Na O25 P Pr3 -","- C18 H6 Na2 O50 P2 Pr6 -","2","1","","Huang, Ya-Ling; Huang, Meow-Yu; Chan, Tsung-Han; Chang, Bor-Chen; Lii, Kwang-Hwa","Synthesis, Structural Characterization, and Luminescence Properties of Lanthanide Oxalatophosphonates: Na[M3(H2O)4(C2O4)4(CH3PO3)]·2H2O (M = Nd and Pr)","Chemistry of Materials","2007","19","13","3232","","10.1021/cm070602i","","","0.71073","MoKα","","0.0385","0.0308","","","0.0663","0.0681","","","","","","0.981","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001374","21.697","0.008","8.534","0.003","14.165","0.006","90","","90","","90","","2622.8","1.7","100","","","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H30 Cl2 N4 Ni O12 -","- C18 H30 Cl2 N4 Ni O12 -","- C72 H120 Cl8 N16 Ni4 O48 -","4","0.5","","Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki","tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds","Chemistry of Materials","2007","19","11","2733","","10.1021/cm070698g","","","0.71069","MoKα","","","0.054","","","","0.0667","","","","","","1.016","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001375","6.176","0.003","20.503","0.01","9.516","0.004","90","","104.33","0.04","90","","1167.5","1","90","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 Cu N4 O10 -","- C18 H26 Cl2 Cu N4 O10 -","- C36 H52 Cl4 Cu2 N8 O20 -","2","0.5","","Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki","tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds","Chemistry of Materials","2007","19","11","2733","","10.1021/cm070698g","","","0.71069","MoKα","","","0.0592","","","","0.1085","","","","","","1.475","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001376","14.8704","0.0003","7.6902","0.0002","10.6506","0.0003","90","","102.57","0.002","90","","1188.77","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mn2C8H10O12","","","- C8 H10 Mn2 O12 -","- C8 H10 Mn2 O12 -","- C32 H40 Mn8 O48 -","4","1","","Wang, Xin-Yi; Sevov, Slavi C.","A Manganese Carboxylate with Geometrically Frustrated Magnetic Layers of Novel Topology","Chemistry of Materials","2007","19","15","3763","","10.1021/cm070713h","","","0.71073","MoKα","","0.0602","0.0555","","","0.1366","0.1418","","","","","","1.142","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001377","10.5567","0.0018","6.3046","0.0011","10.8182","0.0018","90","","95.092","0.002","90","","717.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cu2 N20 -","- C4 H6 Cu2 N20 -","- C8 H12 Cu4 N40 -","2","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Toward Tuning the Bulk Magnetic Behaviors of Metal−Azido Materials by Organic Pillars","Chemistry of Materials","2007","19","11","2724","","10.1021/cm0708416","","","0.71073","MoKα","","0.0324","0.0259","","","0.0627","0.0658","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001378","11.859","0.002","6.3786","0.0011","10.7701","0.0018","90","","95.931","0.002","90","","810.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cu2 N20 -","- C6 H10 Cu2 N20 -","- C12 H20 Cu4 N40 -","2","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Toward Tuning the Bulk Magnetic Behaviors of Metal−Azido Materials by Organic Pillars","Chemistry of Materials","2007","19","11","2724","","10.1021/cm0708416","","","0.71073","MoKα","","0.0524","0.0423","","","0.0929","0.0976","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001379","6.244","0.004","6.244","0.004","18.479","0.019","90","","90","","120","","623.9","0.9","175","5","175","5","","","","","","","","4","P 63/m","-P 6c","176","Nickel Chromium Phosphorus Sulfide","","","- Cr2 Ni3 P2 Se9 -","- Cr2 Ni3.0001 P2 Se9 -","- Cr4 Ni6.0002 P4 Se18 -","2","0.166667","","McGuire, Michael A.; DiSalvo, Francis J.","Ni3Cr2P2Q9(Q = S, Se): New Quaternary Transition Metal Chalcogenides with a Unique Layered Structure","Chemistry of Materials","2007","19","18","4600","","10.1021/cm070849f","","","0.71073","MoKα","","0.042","0.0235","","","0.0342","0.0356","","","","","","0.805","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001380","12.238","0.005","12.238","0.005","12.398","0.005","90","","90","","90","","1856.8","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-samarium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-samarium chloride clathrate hydrate)","","- C40 H24 Cl N8 Na6 O46 S8 Sm -","- C40 H24 Cl N8 Na6 O46 S8 Sm -","- C40 H24 Cl N8 Na6 O46 S8 Sm -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.1012","0.0764","","","0.1952","0.213","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001381","12.265","0.005","12.265","0.005","12.421","0.005","90","","90","","90","","1868.5","1.3","123","2","123","2","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-europium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-europium chloride clathrate hydrate)","","- C40 H24 Cl Eu N8 Na6 O48 S8 -","- C40 H24 Cl Eu N8 Na6 O48 S8 -","- C40 H24 Cl Eu N8 Na6 O48 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.061","0.0554","","","0.1426","0.1482","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001382","12.234","0.005","12.234","0.005","12.373","0.005","90","","90","","90","","1851.9","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-gadolinium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-gadolinium chloride clathrate hydrate)","","- C40 H24 Cl Gd N8 Na6 O48 S8 -","- C40 H24 Cl Gd N8 Na6 O48 S8 -","- C40 H24 Cl Gd N8 Na6 O48 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.0743","0.0648","","","0.1527","0.1689","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001383","12.245","0.005","12.245","0.005","12.407","0.005","90","","90","","90","","1860.3","1.3","123","2","123","2","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-terbium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-terbium chloride clathrate hydrate)","","- C40 H24 Cl N8 Na6 O46 S8 Tb -","- C40 H24 Cl N8 Na6 O46 S8 Tb -","- C40 H24 Cl N8 Na6 O46 S8 Tb -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.0591","0.0528","","","0.1401","0.158","","","","","","1.194","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001384","12.213","0.005","12.213","0.005","12.345","0.005","90","","90","","90","","1841.3","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-dysprosium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-dysprosium chloride clathrate hydrate)","","- C40 H24 Cl Dy N8 Na6 O47 S8 -","- C40 H24 Cl Dy N8 Na6 O47 S8 -","- C40 H24 Cl Dy N8 Na6 O47 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","","0.71069","MoKα","","0.045","0.0405","","","0.1034","0.1061","","","","","","1.053","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001385","14.2604","0.0002","10.1663","0.0002","10.5637","0.0002","90","","91.803","0.001","90","","1530.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 Cu7 O28 -","- C16 H24 Cl2 Cu7 O28 -","- C32 H48 Cl4 Cu14 O56 -","2","0.5","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0332","0.0252","","","0.0616","0.0638","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001386","14.2291","0.0002","10.0388","0.0002","10.3413","0.0002","90","","92.449","0.001","90","","1475.83","0.05","100","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","CuTHFTC-dehy-RT","","","- C16 H12 Cl2 Cu7 O24.37 -","- C16 H12 Cl2 Cu7 O24.37 -","- C32 H24 Cl4 Cu14 O48.74 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0369","0.0335","","","0.0836","0.0907","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001387","14.1851","0.0002","10.0601","0.0002","10.2537","0.0002","90","","92.262","0.001","90","","1462.1","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","CuTHF65","","","- C16 H14 Cl2 Cu7 O24 -","- C16 H14 Cl2 Cu7 O24 -","- C32 H28 Cl4 Cu14 O48 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0275","0.0257","","","0.0578","0.0584","","","","","","1.109","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001388","14.119","0.003","10.043","0.002","10.21","0.002","90","","92.16","0.03","90","","1446.7","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Cu-THF-105","","","- C16 H14 Cl2 Cu7 O23 -","- C16 H14 Cl2 Cu7 O23 -","- C32 H28 Cl4 Cu14 O46 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0247","0.023","","","0.0565","0.0574","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001389","14.2238","0.0003","10.1417","0.0002","10.5474","0.0003","90","","91.795","0.001","90","","1520.75","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CuTHFRe","","","- C16 H20 Cl2 Cu7 O28 -","- C16 H20 Cl2 Cu7 O28 -","- C32 H40 Cl4 Cu14 O56 -","2","0.5","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0312","0.0228","","","0.0563","0.0586","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001390","14.1601","0.0003","10.0452","0.0002","10.2294","0.0002","90","","92.258","0.001","90","","1453.91","0.05","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","CuTHFTC-dehy-NH3","","","- C16 H14 Cl2 Cu7 N O23 -","- C16 H14 Cl2 Cu7 N O23 -","- C32 H28 Cl4 Cu14 N2 O46 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0317","0.0288","","","0.0641","0.0649","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001391","7.2596","0.0008","21.786","0.002","38.904","0.004","90","","90","","90","","6153","1.1","293","2","","","","","","","","","","3","F 2 d d","F -2d 2","43","","","","- O45 P9 V12 -","- O45 P9 V12 -","- O360 P72 V96 -","8","0.5","","Benser, Ernst; Glaum, Robert; Dross, Thomas; Hibst, Hartmut","VIIIVIV3O3(PO4)3: A Novel Vanadium Phosphate for Selective Oxidation of Light Hydrocarbons","Chemistry of Materials","2007","19","17","4341","","10.1021/cm071036u","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0663","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001392","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Murata, Hidenori; Mague, Joel T.; Aboaku, Safo; Yoshioka, Naoki; Lahti, Paul M.","An Organic Radical Solid Solution with Strong Ferromagnetic Exchange","Chemistry of Materials","2007","19","17","4111","","10.1021/cm0711459","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001393","17.638","0.004","9.4889","0.0019","26.369","0.005","90","","115.47","0.03","90","","3984.3","1.7","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H82.9 In5 N5 O1.45 S19 Sb6 -","- C24.82 H58.2 In5 N3.97 O1.46 S19 Sb6 -","- C49.64 H116.4 In10 N7.94 O2.92 S38 Sb12 -","2","0.5","","Ding, Nan; Kanatzidis, Mercouri G.","Permeable Layers with Large Windows in [(CH3CH2CH2)2NH2]5In5Sb6S19·1.45 H2O: High Ion-Exchange Capacity, Size Discrimination, and Selectivity for Cs Ions","Chemistry of Materials","2007","19","16","3867","","10.1021/cm071179g","","","0.71073","MoKα","","0.0768","0.0584","","","0.1547","0.1655","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001394","13.6835","0.0014","19.981","0.002","6.7535","0.0007","90","","94.514","0.002","90","","1840.7","0.3","273","2","273","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Calcium catena-polyphosphate","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca16 O96 P32 -","16","4","","Weil, Matthias; Puchberger, Michael; Schmedt auf der Günne, Jörn; Weber, Johannes","Synthesis, Crystal Structure, and Characterization (Vibrational and Solid-State31P MAS NMR Spectroscopy) of the High-Temperature Modification of Calciumcatena-Polyphosphate(V)","Chemistry of Materials","2007","19","21","5067","","10.1021/cm071239i","","","0.71073","MoKα","","0.0672","0.0561","","","0.1205","0.1263","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001395","6.4509","0.0007","15.3058","0.0015","9.4335","0.0009","90","","101.176","0.002","90","","913.76","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 B N4 -","- C8 H5 B N4 -","- C32 H20 B4 N16 -","4","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0644","0.0497","","","0.121","0.1286","","","","","","1.025","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001396","13.261","0.0009","7.6398","0.0005","21.3062","0.0014","90","","90","","90","","2158.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 B N5 -","- C9 H6 B N5 -","- C72 H48 B8 N40 -","8","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.1","0.047","","","0.0968","0.1175","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001397","17.3571","0.0012","8.5357","0.0006","8.0293","0.0006","90","","90","","90","","1189.58","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H10 Be N4 -","- C12 H10 Be N4 -","- C48 H40 Be4 N16 -","4","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0562","0.0326","","","0.0505","0.0544","","","","","","0.856","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001398","7.558","0.004","8.286","0.004","12.763","0.006","77.809","0.01","75.389","0.01","71.894","0.01","727.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Ga N5 -","- C13 H10 Ga N5 -","- C26 H20 Ga2 N10 -","2","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0493","0.0382","","","0.0869","0.0915","","","","","","1.004","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001399","10.673","0.003","10.673","0.003","4.099","0.002","90","","90","","120","","404.4","0.3","273","2","273","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Ce0.9 Gd0.1 O6 -","- C3 H3 Ce0.9 Gd0.1 O6 -","- C9 H9 Ce2.7 Gd0.3 O18 -","3","0.166667","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","","","0.71073","MoKα","","0.0117","0.0117","","","0.0292","0.0292","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001400","8.5501","0.0002","7.3054","0.0002","5.0045","0.0001","90","","90","","90","","312.591","0.013","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cerium gadolinium carbonato hydroxide","","- C H Ce0.9 Gd0.1 O4 -","- C Ce0.9 Gd0.1 O4 -","- C4 Ce3.6 Gd0.4 O16 -","4","1","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","powder diffraction","x-ray","1.54178","CuKα","","","","","","","","0.03063","","1.73","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001401","8.9475","0.0006","9.5099","0.0007","16.9616","0.0012","90","","90","","90","","1443.26","0.18","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H16 Ce1.8 Gd0.2 O17 -","- C3 H16 Ce1.801 Gd0.199 O17 -","- C12 H64 Ce7.204 Gd0.796 O68 -","4","0.5","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","","","0.71073","MoKα","","0.0404","0.0197","","","0.0353","0.0388","","","","","","0.893","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001402","5.2771","0.0011","9.1476","0.0018","10.804","0.002","90","","99.19","0.03","90","","514.84","0.18","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Ferrous Tainiolite","Ferrous Tainiolite","","- Cs0.986 F2 Fe2.025 Li0.975 O10 Si4 -","- Cs0.986 F2 Fe2.025 Li0.975 O10 Si4 -","- Cs1.972 F4 Fe4.05 Li1.95 O20 Si8 -","2","0.25","","Mariychuk, Ruslan; Baumgartner, Alexander; Wagner, Friedrich E.; Lerf, Anton; Dubbe, Andreas; Moos, Ralf; Breu, Josef","Synthesis, Structure, and Electric Conductivity of Ferrous Tainiolite and Its Oxidative Conversion into Coarse-Grained Swellable Smectite","Chemistry of Materials","2007","19","22","5377","","10.1021/cm0713778","","","0.71073","MoKα","","0.0381","0.0365","","","0.0883","0.0896","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001403","14.3071","0.0006","6.9965","0.0003","11.451","0.0005","90","","90","","90","","1146.24","0.09","163","2","163","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Khan, M. Ishaque; Yohannes, Elizabeth; Golub, Vladimir O.; O'Connor, Charles J.; Doedens, Robert J.","Mixed-Valence and Neutral Framework Inorganic−Organic Hybrid Materials: Synthesis, Characterization, and Magnetic Properties of [{Co(N(CH)4N)}(V2O5)2] and [{Co(N(CH)4N)}V2O6]","Chemistry of Materials","2007","19","20","4890","","10.1021/cm071415n","","","0.71073","MoKα","","0.0385","0.0381","","","0.1017","0.1019","","","","","","1.308","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001404","10.2524","0.0008","11.5653","0.0009","7.4719","0.0006","90","","90","","90","","885.96","0.12","163","2","163","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Khan, M. Ishaque; Yohannes, Elizabeth; Golub, Vladimir O.; O'Connor, Charles J.; Doedens, Robert J.","Mixed-Valence and Neutral Framework Inorganic−Organic Hybrid Materials: Synthesis, Characterization, and Magnetic Properties of [{Co(N(CH)4N)}(V2O5)2] and [{Co(N(CH)4N)}V2O6]","Chemistry of Materials","2007","19","20","4890","","10.1021/cm071415n","","","0.71073","MoKα","","0.0199","0.0182","","","0.0541","0.0547","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001405","21.4829","0.001","4.6185","0.0002","8.8453","0.0004","90","","100.362","0.001","90","","863.31","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 F2 O6 Pb2 S2 -","- C2 H4 F2 O6 Pb2 S2 -","- C8 H16 F8 O24 Pb8 S8 -","4","0.5","","Rogow, David L.; Zapeda, Gustavo; Swanson, Claudia H.; Fan, Xiaojuan; Oliver, Allen G.; Oliver, Scott R. J.","A Metal−Organic Framework Containing Cationic Inorganic Layers: Pb2F2[C2H4(SO3)2]","Chemistry of Materials","2007","19","19","4658","","10.1021/cm071429t","","","0.71073","MoKα","","0.0883","0.0587","","","0.1297","0.1394","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001406","8.5463","0.0003","13.4903","0.0005","16.9043","0.0006","69.533","0.001","89.581","0.001","86.715","0.001","1822.74","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H38 N6 O32 P8 Zn6 -","- C8 H38 N6 O32 P8 Zn6 -","- C16 H76 N12 O64 P16 Zn12 -","2","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0298","0.0268","","","0.0721","0.0732","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001407","8.2558","0.0004","8.5393","0.0004","13.5627","0.0006","87.244","0.001","81.731","0.001","80.492","0.001","932.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H19 N3 O16 P4 Zn3 -","- C4 H19 N3 O16 P4 Zn3 -","- C8 H38 N6 O32 P8 Zn6 -","2","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0379","0.0351","","","0.0955","0.0975","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001408","8.4552","0.0007","10.0614","0.0008","12.8218","0.001","109.012","0.001","90.922","0.002","91.298","0.002","1030.68","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H22 N3 O17.5 P4 Zn3 -","- C4 H13 N3 O17.5 P4 Zn3 -","- C8 H26 N6 O35 P8 Zn6 -","2","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0361","0.0296","","","0.0894","0.0914","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001409","16.0829","0.0008","16.0829","0.0008","29.805","0.002","90","","90","","90","","7709.4","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C4 H18.5 N2.5 O13.5 P3 Zn2.5 -","- C2 H3 N1.996 O13 P3 Zn2.5 -","- C32 H48 N31.936 O208 P48 Zn40 -","16","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0543","0.0488","","","0.1459","0.1489","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001410","13.0907","0.0002","11.9219","0.0002","22.7569","0.0003","90","","96.062","0.001","90","","3531.72","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CoEnOx-BPDS-H2O","","","- C24 H47 Co2 N8 O17.5 S2 -","- C24 H47 Co2 N8 O17.5 S2 -","- C96 H188 Co8 N32 O70 S8 -","4","2","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0429","0.0384","","","0.0935","0.0985","","","","","","1.057","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001411","6.3228","0.0001","11.9946","0.0002","26.4024","0.0004","90","","91.402","0.001","90","","2001.74","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CoEnOx-BPDS-DMF","","","- C30 H54 Co2 N10 O16 S2 -","- C30 H54 Co2 N10 O16 S2 -","- C60 H108 Co4 N20 O32 S4 -","2","0.5","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0305","0.0279","","","0.0692","0.0707","","","","","","1.043","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001412","7.7782","0.0016","10.31","0.002","18.272","0.004","99.69","0.03","94.23","0.04","90.1","0.03","1440.3","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","CoEnOx-BPDS-pnp","","","- C42 H69 Co2 N11 O30 S2 -","- C42 H55 Co2 N11 O30 S2 -","- C42 H55 Co2 N11 O30 S2 -","1","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0433","0.0402","","","0.1117","0.1186","","","","","","1.113","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001413","11.781","0.002","12.915","0.003","17.417","0.004","89.52","0.04","73.11","0.03","89.75","0.03","2535.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CoEnOx-BPDS-Acpy","","","- C38 H68 Co2 N10 O23 S2 -","- C38 H48.646 Co2 N10 O23 S2 -","- C76 H97.292 Co4 N20 O46 S4 -","2","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0553","0.0451","","","0.1242","0.1323","","","","","","1.042","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001414","38.284","0.007","10.1952","0.0018","15.276","0.003","90","","110.18","0.01","90","","5596.4","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CoEnOx-BPDS-dmapy","","","- C38 H80 Co2 N12 O24 S2 -","- C38 H60 Co2 N12 O24 S2 -","- C152 H240 Co8 N48 O96 S8 -","4","0.5","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0804","0.073","","","0.1889","0.1984","","","","","","1.294","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001415","11.7217","0.0008","18.1519","0.0013","26.4208","0.0019","70.693","0.003","89.401","0.003","87.117","0.003","5298.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CoEnOx-BPDS-Hdmapy","","","- C74 H144 Co4 N20 O50 S6 -","- C74 H106.028 Co4 N20 O50 S6 -","- C148 H212.056 Co8 N40 O100 S12 -","2","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0427","0.0369","","","0.1023","0.109","","","","","","1.043","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001416","5.914","0.01","12.19","0.02","23.72","0.03","89.06","0.06","97.98","0.07","97.16","0.07","1680","5","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F6 N4 S4 -","- C24 H10 F6 N4 S4 -","- C72 H30 F18 N12 S12 -","3","1.5","","Mamada, Masashi; Nishida, Jun-ichi; Kumaki, Daisuke; Tokito, Shizuo; Yamashita, Yoshiro","n-Type Organic Field-Effect Transistors with High Electron Mobilities Based on Thiazole−Thiazolothiazole Conjugated Molecules","Chemistry of Materials","2007","19","22","5404","","10.1021/cm071505s","","","0.7107","MoKα","","","0.0534","","","","0.1085","","","","","","0.869","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001417","8.43","0.01","13.05","0.02","16.35","0.03","93.22","0.06","101.18","0.05","103.56","0.05","1706","5","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F6 N4 S4 -","- C24 H10 F6 N4 S4 -","- C72 H30 F18 N12 S12 -","3","1.5","","Mamada, Masashi; Nishida, Jun-ichi; Kumaki, Daisuke; Tokito, Shizuo; Yamashita, Yoshiro","n-Type Organic Field-Effect Transistors with High Electron Mobilities Based on Thiazole−Thiazolothiazole Conjugated Molecules","Chemistry of Materials","2007","19","22","5404","","10.1021/cm071505s","","","0.7107","MoKα","","","0.0422","","","","0.084","","","","","","0.989","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001418","9.405","0.002","9.405","0.002","10.41","0.002","90","","90","","120","","797.4","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.97 Mo18 S24 -","- Cu2.9718 Mo18 S24 -","- Cu2.9718 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.9623","1.962","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001419","9.52","0.002","9.52","0.002","10.314","0.002","90","","90","","120","","809.5","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.23 Mo18 S24 -","- Cu4.22406 Mo18 S24 -","- Cu4.22406 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.397","0.549","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001420","9.47","0.002","9.47","0.002","10.377","0.002","90","","90","","120","","805.9","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.37 Mg0.25 Mo18 S24 -","- Cu3.366 Mg0.252 Mo18 S24 -","- Cu3.366 Mg0.252 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.397","1.738","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001421","9.548","0.002","9.548","0.002","10.375","0.002","90","","90","","120","","819.1","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.37 Mg0.22 Mo18 S24 -","- Cu4.36878 Mg0.2079 Mo18 S24 -","- Cu4.36878 Mg0.2079 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.4966","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001422","9.534","0.002","9.534","0.002","10.431","0.002","90","","90","","120","","821.1","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu1.6 Mg2.09 Mo18 S24 -","- Cu1.602 Mg2.088 Mo18 S24 -","- Cu1.602 Mg2.088 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.3731","1.98","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001423","9.516","0.002","9.516","0.002","10.46","0.002","90","","90","","120","","820.3","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.86 Mg1.31 Mo18 S24 -","- Cu2.862 Mg1.314 Mo18 S24 -","- Cu2.862 Mg1.314 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","4.4882","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001424","9.594","0.002","9.594","0.002","10.435","0.002","90","","90","","120","","831.8","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.02 Mg2.27 Mo18 S24 -","- Cu3.0276 Mg2.2752 Mo18 S24 -","- Cu3.0276 Mg2.2752 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.6866","1.768","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001425","9.724","0.002","9.724","0.002","10.392","0.002","90","","90","","120","","851","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.66 Mg3.31 Mo18 S24 -","- Cu4.662 Mg3.312 Mo18 S24 -","- Cu4.662 Mg3.312 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","4.6739","1.789","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001426","9.705","0.002","9.705","0.002","10.405","0.002","90","","90","","120","","848.7","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu1.21 Mg5.4 Mo18 S24 -","- Cu1.20006 Mg5.4 Mo18 S24 -","- Cu1.20006 Mg5.4 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.7278","1.789","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001427","9.448","0.002","9.448","0.002","10.392","0.002","90","","90","","120","","803.4","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.06 Mg0.2 Mo18 S24 -","- Cu3.06 Mg0.198 Mo18 S24 -","- Cu3.06 Mg0.198 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.5699","0.4856","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001428","9.462","0.002","9.462","0.002","10.434","0.002","90","","90","","120","","809","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.56 Mg0.77 Mo18 S24 -","- Cu2.556 Mg0.774 Mo18 S24 -","- Cu2.556 Mg0.774 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.4032","0.8","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001429","11.6162","0.0005","17.0136","0.0008","18.6513","0.0009","90","","92.615","0.004","90","","3682.3","0.3","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H41 Cl N4 O -","- C41 H41 Cl N4 O -","- C164 H164 Cl4 N16 O4 -","4","1","","Bouit, Pierre-Antoine; Wetzel, Guillaume; Berginc, Gérard; Loiseaux, Brigitte; Toupet, Loïc; Feneyrou, Patrick; Bretonnière, Yann; Kamada, Kenji; Maury, Olivier; Andraud, Chantal","Near IR Nonlinear Absorbing Chromophores with Optical Limiting Properties at Telecommunication Wavelengths","Chemistry of Materials","2007","19","22","5325","","10.1021/cm071557h","","","0.71069","MoKα","","0.1437","0.0573","","","0.1623","0.1813","","","","","","0.812","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001430","18","0.02","18","0.02","18.46","0.02","90","","90","","120","","5180","10","153","2","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C24 H66 Co N6 O46 P S6 W12 -","- C24 H66 Co N6 O46 P S6 W12 -","- C72 H198 Co3 N18 O138 P3 S18 W36 -","3","0.166667","","Uchida, Sayaka; Hikichi, Shiro; Akatsuka, Takeo; Tanaka, Toshiyuki; Kawamoto, Ryosuke; Lesbani, Aldes; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka","Preparation of Monodispersed Nanoparticles by Electrostatic Assembly of Keggin-Type Polyoxometalates and 1,4,7-Triazacyclononane-Based Transition-Metal Complexes","Chemistry of Materials","2007","19","19","4694","","10.1021/cm071565y","","","0.7107","MoKα","","","0.1103","","","","0.2293","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001431","6.196","0.004","15.428","0.011","9.697","0.007","90","","94.494","0.012","90","","924.1","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-Aib-Ala","Tyrosyl-alpha-aminoisobutyryl-alanine monohydrate","","- C16 H25 N3 O6 -","- C16 H23 N3 O6 -","- C32 H46 N6 O12 -","2","1","","Bose, Partha Pratim; Das, Apurba Kr.; Hegde, Raghurama P.; Shamala, Narayanaswami; Banerjee, Arindam","pH-Sensitive Nanostructural Transformation of a Synthetic Self-Assembling Water-Soluble Tripeptide: Nanotube to Nanovesicle","Chemistry of Materials","2007","19","25","6150","","10.1021/cm0716147","","","0.71073","MoKα","","0.1511","0.0829","","","0.1707","0.1951","","","","","","0.926","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001432","23.211","0.003","7.7363","0.0007","12.7856","0.0018","90","","99.276","0.017","90","","2265.9","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","0.5","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1162","0.0423","","","0.0999","0.1197","","","","","","0.92","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001433","23.18","0.003","7.7477","0.0005","12.7587","0.0011","90","","99.309","0.012","90","","2261.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Cp2Co, Ni(tfadt)2)","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","0.5","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.0734","0.0457","","","0.1233","0.1388","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001434","12.3208","0.0014","12.6666","0.0012","15.3798","0.0016","82.475","0.012","67.071","0.012","80.971","0.013","2176.7","0.4","198","2","198","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","2","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.0693","0.0419","","","0.1128","0.1521","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001435","12.2269","0.0016","12.7554","0.0015","14.8842","0.0018","78.428","0.014","70.997","0.014","79.285","0.014","2131.9","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","2","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.0824","0.0423","","","0.1029","0.1402","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001436","7.8202","0.0011","11.5705","0.0018","12.77","0.0017","74.115","0.017","82.87","0.016","76.892","0.017","1080","0.3","170","2","170","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2)","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C36 H20 Co2 F12 N4 Ni2 S8 -","2","1","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1058","0.0651","","","0.1652","0.1891","","","","","","0.917","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001437","7.859","0.005","11.601","0.005","12.792","0.005","74.405","0.005","83.095","0.005","76.063","0.005","1088.3","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C36 H20 Co2 F12 N4 Ni2 S8 -","2","1","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1145","0.0652","","","0.1646","0.1879","","","","","","0.923","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001438","12.333","0.002","12.6886","0.0018","15.462","0.002","82.416","0.017","66.981","0.017","80.951","0.018","2192.6","0.6","210","2","210","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","2","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1538","0.0727","","","0.1786","0.1988","","","","","","0.988","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001439","10.3522","0.0005","10.3522","0.0005","4.1784","0.0005","90","","90","","90","","447.79","0.06","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Dy7 Ge12 In -","- Co4 Dy7 Ge12 In -","- Co4 Dy7 Ge12 In -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0336","0.0258","","","0.0552","0.058","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001440","10.357","0.003","10.357","0.003","4.1538","0.0015","90","","90","","90","","445.6","0.2","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Ge12 Ho7 In -","- Co4 Ge12 Ho7 In -","- Co4 Ge12 Ho7 In -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0496","0.0464","","","0.1141","0.1152","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001441","10.2937","0.0007","10.2937","0.0007","4.1518","0.0005","90","","90","","90","","439.93","0.07","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Ge12 In Yb7 -","- Co4 Ge12 In Yb7 -","- Co4 Ge12 In Yb7 -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0332","0.0304","","","0.071","0.0723","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001442","21.3215","0.0006","12.6721","0.0004","13.4677","0.0004","90","","121.974","0.002","90","","3086.76","0.17","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cu2 N2 O8 -","- C30 H36 Cu2 N2 O8 -","- C120 H144 Cu8 N8 O32 -","4","0.5","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.1332","0.0658","","","0.1505","0.1832","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001443","21.2692","0.0016","12.5647","0.0006","13.4995","0.001","90","","121.843","0.002","90","","3064.7","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H36 Cu2 N2 O8 -","- C30 H36 Cu2 N2 O8 -","- C120 H144 Cu8 N8 O32 -","4","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0402","","","0.1085","0.1112","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001444","7.7316","0.0009","11.6883","0.0012","17.2033","0.0018","90","","101.228","0.004","90","","1524.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 O8 Zn2 -","- C30 H36 N2 O8 Zn2 -","- C60 H72 N4 O16 Zn4 -","2","0.5","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0521","","","0.1487","0.1614","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001445","7.7559","0.0019","11.598","0.003","17.588","0.005","90","","102.64","0.002","90","","1543.7","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O8 Zn2 -","- C30 H36 N2 O8 Zn2 -","- C60 H72 N4 O16 Zn4 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0328","","","0.0865","0.1045","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001446","9.5125","0.0003","11.3212","0.0003","18.4446","0.0004","104.879","0.002","92.208","0.002","95.825","0.002","1905.52","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43 Cd2 N3 O8 -","- C38 H43 Cd2 N3 O8 -","- C76 H86 Cd4 N6 O16 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.0771","0.0444","","","0.1004","0.1274","","","","","","0.937","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001447","18.8494","0.0007","10.8373","0.0004","19.0705","0.0007","90","","102.786","0.002","90","","3799.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H86 Cd4 N6 O16 -","- C76 H86 Cd4 N6 O16 -","- C152 H172 Cd8 N12 O32 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.0493","0.0352","","","0.0655","0.0699","","","","","","0.904","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001448","17.9391","0.0003","17.9391","0.0003","38.4446","0.0013","90","","90","","120","","10714.4","0.4","150","2","150","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C221 H192 Ag5 Cl0 F15 N24 O15 S5 -","- C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01 -","- C441.96 H384 Ag10 F29.88 N48 O29.88 S10.02 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong","Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal","Chemistry of Materials","2007","19","19","4630","","10.1021/cm071767u","","","1.54187","CuKα","","0.1121","0.0678","","","0.1449","0.1587","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001449","17.9074","0.0004","17.9074","0.0004","38.5402","0.0017","90","","90","","120","","10703.1","0.6","150","2","150","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C221 H192 Ag5 Cl0 F15 N24 O15 S5 -","- C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01 -","- C441.96 H384 Ag10 F29.88 N48 O29.88 S10.02 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong","Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal","Chemistry of Materials","2007","19","19","4630","","10.1021/cm071767u","","","1.54187","CuKα","","0.1115","0.0757","","","0.1649","0.1791","","","","","","1.015","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001450","7.524","0.0011","7.524","0.0011","14.746","0.003","90","","90","","120","","722.9","0.2","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C8 H30 Al4 Ge6 N6 O20 -","- C7.96 Al4.028 Ge5.972 N6.02 O20 -","- C7.96 Al4.028 Ge5.972 N6.02 O20 -","1","0.0833333","","Shi, Lei; Christensen, Kirsten E.; Jansson, Kjell; Sun, Junliang; Zou, Xiaodong","Synthesis and Characterization of an Aluminogermanate SU-46 with a Zeolite Structure","Chemistry of Materials","2007","19","24","5973","","10.1021/cm071790f","","","0.71073","MoKα","","0.0315","0.0251","","","0.0636","0.0647","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001451","17.1841","0.0009","12.4648","0.0007","6.7661","0.0004","90","","90","","90","","1449.27","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.71073","MoKα","","0.0817","0.0718","","","0.1438","0.1478","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001452","7.6293","0.0009","8.9099","0.0011","12.3769","0.0015","72.542","0.002","72.226","0.002","77.396","0.002","756.81","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.71073","MoKα","","0.1303","0.0728","","","0.1299","0.1478","","","","","","1.023","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001453","8.92","0.0018","11.111","0.002","11.748","0.002","110.96","0.03","100.17","0.03","94.53","0.03","1057.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N7 O9 -","- C18 H18 N7 O9 -","- C36 H36 N14 O18 -","2","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.82657","synchrotron","","0.1455","0.1307","","","0.378","0.4041","","","","","","2.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001454","6.9716","0.0009","7.0279","0.0009","9.4593","0.0013","90","","99.188","0.002","90","","457.52","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium tungsten tellurite","","- H8 N2 O8 Te2 W -","- N2 O8 Te2 W -","- N4 O16 Te4 W2 -","2","1","","Kim, Jun-Ho; Baek, Jaewook; Halasyamani, P. Shiv","(NH4)2Te2WO8: A New Polar Oxide with Second-Harmonic Generating, Ferroelectric, and Pyroelectric Properties","Chemistry of Materials","2007","19","23","5637","","10.1021/cm7019334","","","0.71073","MoKα","","0.0359","0.0318","","","0.0597","0.0607","","","","","","0.922","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001455","19.767","0.002","7.6608","0.001","14.602","0.002","90","","111.66","0.006","90","","2055.1","0.4","90","","90","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 B11 O3 S -","- C12 H27 B11 O3 S -","- C48 H108 B44 O12 S4 -","4","1","","Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.","Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes","Chemistry of Materials","2007","19","25","6195","","10.1021/cm701935n","","","0.71073","MoKα","","0.071","0.044","","","0.105","0.115","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001456","17.049","0.003","7.9948","0.0011","12.027","0.002","90","","103.844","0.007","90","","1591.7","0.4","115","","115","","","","","","","","local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 B10 I -","- C10 H19 B10 I -","- C40 H76 B40 I4 -","4","1","","Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.","Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes","Chemistry of Materials","2007","19","25","6195","","10.1021/cm701935n","","","0.71073","MoKα","","0.028","0.025","","","0.064","0.061","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001457","18.803","0.003","7.8137","0.0012","12.159","0.002","90","","101.279","0.007","90","","1751.9","0.5","90","","90","","","","","","","","local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B10 S -","- C14 H22 B10 S -","- C56 H88 B40 S4 -","4","1","","Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.","Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes","Chemistry of Materials","2007","19","25","6195","","10.1021/cm701935n","","","0.71073","MoKα","","0.064","0.046","","","0.109","0.119","","","","","","1.022","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001458","20.998","0.004","4.026","0.0008","12.149","0.002","90","","119","0.03","90","","898.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Cadimum Antimony Selenobromide","","","- Br2 Cd Sb2 Se3 -","- Br2 Cd Sb2 Se3 -","- Br8 Cd4 Sb8 Se12 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.059","0.0566","","","0.133","0.1357","","","","","","1.142","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001459","19.877","0.004","3.852","0.0008","11.484","0.002","90","","117.75","0.03","90","","778.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Antimony Sulfochloride","","","- Cl In S4 Sb2 -","- Cl In S4 Sb2 -","- Cl4 In4 S16 Sb8 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.0325","0.0303","","","0.0726","0.0739","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001460","20.177","0.004","3.867","0.0008","11.66","0.002","90","","119.13","0.03","90","","794.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Antimony Sulfobromide","","","- Br In S4 Sb2 -","- Br In S4 Sb2 -","- Br4 In4 S16 Sb8 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.062","0.0496","","","0.0985","0.1038","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001461","20.772","0.004","4.002","0.0008","11.939","0.002","90","","118.14","0.03","90","","875.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Antimony Selenobromide","","","- Br In Sb2 Se4 -","- Br In Sb2 Se4 -","- Br4 In4 Sb8 Se16 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.0704","0.0555","","","0.1211","0.1269","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001462","20.832","0.004","4.114","0.0008","11.958","0.002","90","","118.15","0.03","90","","903.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Bismuth Selenobromide","","","- Bi2 Br In Se4 -","- Bi2 Br In Se4 -","- Bi8 Br4 In4 Se16 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.0278","0.0263","","","0.0595","0.0604","","","","","","1.202","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001463","5.3143","0.0002","8.208","0.0003","12.725","0.0006","90","","90.192","0.004","90","","555.06","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium zinc diphosphate","strontium zinc diphosphate","","- O7 P2 Sr Zn -","- O7 P2 Sr Zn -","- O28 P8 Sr4 Zn4 -","4","1","","Höppe, Henning A.; Daub, Michael; Bröhmer, Manuel C.","Coactivation of α-Sr(PO3)2and SrM(P2O7) (M = Zn, Sr) with Eu2+and Mn2+","Chemistry of Materials","2007","19","25","6358","","10.1021/cm702292x","","","0.71073","MoKα","","0.0649","0.035","","","0.0645","0.0701","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001464","8.814","0.002","8.591","0.002","27.644","0.005","90","","90","","90","","2093.2","0.8","273.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0709","","","","0.1715","","","","","","1.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001465","8.9315","0.0007","26.023","0.003","8.4082","0.0007","90","","90","","90","","1954.3","0.3","128.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.1081","","","","0.2642","","","","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001466","12.648","0.001","12.225","0.001","20.605","0.002","90","","97.434","0.002","90","","3159.2","0.5","273.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H16 I4 N2 Sn -","- C5 I4 N2 Sn -","- C40 I32 N16 Sn8 -","8","1","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.062","","","","0.2183","","","","","","1.834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001467","32.299","0.004","6.1042","0.0007","6.1378","0.0007","90","","93.961","0.004","90","","1207.2","0.2","203.2","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H24 I4 N2 Sn -","- C16 I4 N2 Sn -","- C32 I8 N4 Sn2 -","2","0.25","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0341","","","","0.1043","","","","","","1.622","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001468","36.695","0.001","8.5068","0.0003","8.7454","0.0002","90","","90","","90","","2729.94","0.14","293.2","","","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H32 I4 N2 O4 Sn -","- C16 I4 N2 O4 Sn -","- C64 I16 N8 O16 Sn4 -","4","","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0506","","","","0.1348","","","","","","1.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001469","8.95","0.001","8.392","0.001","15.393","0.002","90","","92.268","0.003","90","","1155.2","0.2","295.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H22 I6 N2 Sn -","- C8 I6 N2 Sn -","- C16 I12 N4 Sn2 -","2","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0734","","","","0.174","","","","","","1.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001470","8.8871","0.0003","9.2148","0.0003","24.1897","0.0009","90","","90","","90","","1980.96","0.12","273.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Sn -","- C8 I4 N2 O4 Sn -","- C32 I16 N8 O16 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0492","","","","0.1457","","","","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001471","6.4411","0.0004","20.729","0.001","12.7965","0.0008","90","","95.6","0.002","90","","1700.4","0.17","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 I4 N2 Sn -","- C7 I4 N2 Sn -","- C28 I16 N8 Sn4 -","4","1","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0573","","","","0.1177","","","","","","1.432","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001472","8.731","0.0004","25.416","0.001","9.5516","0.0006","90","","90","","90","","2119.57","0.18","293.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 I6 N2 Sn -","- C10 I6 N2 Sn -","- C40 I24 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0548","","","","0.1497","","","","","","1.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001473","6.377","0.003","14.534","0.007","12.919","0.007","90","","94.683","0.011","90","","1193.4","1","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 S4 -","- C12 H12 S4 -","- C48 H48 S16 -","4","1","","Takahashi, Yukihiro; Hasegawa, Tatsuo; Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori; Saito, Gunji","High Mobility Organic Field-Effect Transistor Based on Hexamethylenetetrathiafulvalene with Organic Metal Electrodes","Chemistry of Materials","2007","19","26","6382","","10.1021/cm702690w","","","0.688","synchrotron","","","0.0571","","","","0.0687","","","","","","0.999","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001901","2.8724","0.0007","2.8724","0.0007","14.495","0.003","90","","90","","120","","103.57","0.04","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.78/0.85/2)","","- Li0.78 Mn0.85 O2 -","- Li0.78 Mn0.85 O2 -","- Li2.34 Mn2.55 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0151","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001902","2.8752","0.0012","2.8752","0.0012","14.391","0.005","90","","90","","120","","103.03","0.07","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (1.07/0.76/2)","","- Li1.07 Mn0.76 O2 -","- Li1.07 Mn0.76 O2 -","- Li3.21 Mn2.28 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0194","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001903","2.8752","0.0008","2.8752","0.0008","14.425","0.003","90","","90","","120","","103.27","0.05","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.80/0.81/2)","","- Li0.8 Mn0.81 O2 -","- Li0.8 Mn0.81 O2 -","- Li2.4 Mn2.43 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0179","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001904","2.8756","0.001","2.8756","0.001","14.332","0.004","90","","90","","120","","102.63","0.06","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.96/0.79/2)","","- Li0.96 Mn0.79 O2 -","- Li0.96 Mn0.79 O2 -","- Li2.88 Mn2.37 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0104","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001905","2.88","0.002","2.88","0.002","14.347","0.005","90","","90","","120","","103.06","0.11","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.96/0.74/2)","","- Li0.96 Mn0.74 O2 -","- Li0.96 Mn0.74 O2 -","- Li2.88 Mn2.22 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0164","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001998","6.1264","0.0004","6.1264","0.0004","5.6914","0.0004","90","","90","","120","","185","0.02","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","neodymium chromium trigermanide","neodymium chromium germanide (1/1/3)","","- Cr Ge3 Nd -","- Cr Ge3 Nd -","- Cr2 Ge6 Nd2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0235","0.0235","","","0.0636","0.0636","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001999","6.1416","0.0006","6.1416","0.0006","5.7039","0.0005","90","","90","","120","","186.32","0.03","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium chromium trigermanide","praseodymium chromium germanide (1/1/3)","","- Cr Ge3 Pr -","- Cr Ge3 Pr -","- Cr2 Ge6 Pr2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0323","0.0323","","","0.0748","0.0748","","","","","","1.334","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002000","6.15","0.002","6.15","0.002","5.7222","0.0019","90","","90","","120","","187.43","0.11","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","cerium chromium trigermanide","cerium chromium germanide (1/1/3)","","- Ce Cr Ge3 -","- Ce Cr Ge3 -","- Ce2 Cr2 Ge6 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0278","0.0278","","","0.0698","0.0698","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002001","6.2004","0.0007","6.2004","0.0007","5.766","0.0006","90","","90","","120","","191.98","0.04","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","lanthanum chromium trigermanide","lanthanum chromium germanide (1/1/3)","","- Cr Ge3 La -","- Cr Ge3 La -","- Cr2 Ge6 La2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0521","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002002","10.237","0.004","11.17","0.004","8.139","0.004","90","","91.51","0.02","90","","930.3","0.7","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-butylpyrrolo[3,4-d])TTF","","","- C18 H22 N2 S4 -","- C18 H22 N2 S4 -","- C36 H44 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0605","0.0444","","","0.1081","0.1168","","","","","","1.085","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002003","9.929","0.004","10.846","0.005","12.603","0.003","90","","92.511","0.001","90","","1355.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-octylpyrrolo[3,4-d])TTF","","","- C26 H38 N2 S4 -","- C26 H38 N2 S4 -","- C52 H76 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0419","0.0339","","","0.096","0.1016","","","","","","1.021","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002004","4.659","0.004","7.68","0.008","23.82","0.02","80.75","0.03","83.92","0.03","85.96","0.03","835.3","1.3","200.2","","200","2","","","","","","","","4","P -1","-P 1","2","Bis(N-n-dodecylpyrrolo[3,4-d])TTF","","","- C34 H54 N2 S4 -","- C34 H54 N2 S4 -","- C34 H54 N2 S4 -","1","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.136","0.0827","","","0.2211","0.2749","","","","","","0.801","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002005","5.394","0.003","7.502","0.003","26.92","0.002","92.34","0.02","94.06","0.02","103.68","0.02","1053.9","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Bis(N-n-cetylpyrrolo[3,4-d])TTF","","","- C42 H70 N2 S4 -","- C42 H70 N2 S4 -","- C42 H70 N2 S4 -","1","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0852","0.0564","","","0.1556","0.1777","","","","","","0.928","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002006","19.879","0.011","17.167","0.008","25.55","0.01","90","","112.315","0.003","90","","8066","7","90.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C256 H384 N8 Ni8 S64 Se32 -","8","2","","Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao","(nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism","Chemistry of Materials","2007","19","3","553","","10.1021/cm062131q","","","0.7107","MoKα","","","0.1","","","","0.131","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002007","42.18","0.05","5.898","0.007","19.17","0.03","90","","99.78","0.06","90","","4700","11","93.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 F6 N2 S2 Se -","- C28 H14 F6 N2 S2 Se -","- C224 H112 F48 N16 S16 Se8 -","8","1","","Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Sakanoue, Tomo; Kakita, Motoyasu; Tada, Hirokazu; Tokito, Shizuo; Yamashita, Yoshiro","High-Performance and Light-Emitting n-Type Organic Field-Effect Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles","Chemistry of Materials","2007","19","6","1218","","10.1021/cm062889+","","","0.7107","MoKα","","","0.0354","","","","0.087","","","","","","0.801","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002008","40.89","0.05","6.142","0.009","19.32","0.02","90","","100.44","0.05","90","","4772","10","93.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 F6 N2 S2 -","- C30 H16 F6 N2 S2 -","- C240 H128 F48 N16 S16 -","8","1","","Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Sakanoue, Tomo; Kakita, Motoyasu; Tada, Hirokazu; Tokito, Shizuo; Yamashita, Yoshiro","High-Performance and Light-Emitting n-Type Organic Field-Effect Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles","Chemistry of Materials","2007","19","6","1218","","10.1021/cm062889+","","","0.7107","MoKα","","","0.0498","","","","0.1137","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002009","7.308","0.0004","9.315","0.0005","3.498","0.0002","90","","90","","90","","238.12","0.02","298","2","298","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Al B4 Si Yb -","- Al B4 Yb -","- Al4 B16 Yb4 -","4","0.25","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0568","0.0568","","","0.1227","0.1227","","","","","","1.151","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002010","7.289","0.0003","9.286","0.0005","3.504","0.0002","90","","90","","90","","237.17","0.02","298","2","298","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al1.33 B5.33 Lu1.33 -","- Al1.33333 B5.33333 Lu1.33333 -","- Al4 B16 Lu4 -","3","0.1875","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.041","0.041","","","0.0986","0.0986","","","","","","1.185","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002011","5.905","0.0001","11.444","0.0002","3.51","0.0004","90","","90","","90","","237.19","0.03","299","2","299","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al1.33 B5.33 Lu1.33 -","- Al1.33333 B5.33333 Lu1.33333 -","- Al4 B16 Lu4 -","3","0.375","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0257","0.0249","","","0.0624","0.063","","","","","","1.234","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002012","5.922","0.0002","11.473","0.0003","3.506","0.0005","90","","90","","90","","238.21","0.04","298","2","298","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al B4 Yb -","- Al B4 Yb -","- Al4 B16 Yb4 -","4","0.5","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0573","0.053","","","0.1368","0.1423","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002174","19.541","0.009","8.661","0.003","26.66","0.011","90.715","0.007","110.509","0.009","92.601","0.007","4220","3","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C128 H192 N4 Ni4 S32 Se16 -","4","2","","Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao","(nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism","Chemistry of Materials","2007","19","3","553","","10.1021/cm062131q","","","0.7107","MoKα","","","0.061","","","","0.07","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002363","5.6791","","5.6791","","35.345","","90","","90","","120","","987.228","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba Mn O2.99 -","- Ba Mn O2.985 -","- Ba15 Mn15 O44.775 -","15","0.416667","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002364","5.6736","","5.6736","","18.755","","90","","90","","120","","522.836","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.95 -","- Ba Mn O2.94975 -","- Ba8 Mn8 O23.598 -","8","0.333333","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002365","5.6547","","5.6547","","23.1936","","90","","90","","120","","642.27","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.91 -","- Ba Mn O2.9154 -","- Ba10 Mn10 O29.154 -","10","0.416667","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002366","5.6397","","5.6397","","20.8973","","90","","90","","120","","575.616","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba0.875 Sr0.125 Mn O3.00","","- Ba0.875 Mn O3 Sr0.125 -","- Ba0.874 Mn O3 Sr0.126 -","- Ba7.866 Mn9 O27 Sr1.134 -","9","0.25","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002367","5.6445","","5.6445","","13.9565","","90","","90","","120","","385.086","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ba Mn O2.92 -","- Ba Mn O2.9215 -","- Ba6 Mn6 O17.529 -","6","0.5","","Adkin, J.J.; Hayward, M.A.","Ba Mn O(3-x) revisited: a structural and magnetic study","Chemistry of Materials (1,1989-)","2007","19","","755","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002381","10.4782","","13.3831","","7.294","","90","","90","","90","","1022.84","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rb2 Zr (Si3 O9) (H2 O)","","- H2 O10 Rb2 Si3 Zr -","- O10 Rb2 Si3 Zr -","- O40 Rb8 Si12 Zr4 -","4","1","","Fewox, C.S.; Kirumakki, S.R.; Clearfield, A.","Structural and mechanistic investigation of rubidium ion exchange in potassium zirconium trisilicate","Chemistry of Materials (1,1989-)","2007","19","","384","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002401","6.2219","","6.2134","","8.7667","","90","","90","","90","","338.913","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ba0.97 La0.03) (Ce0.87 Y0.13) O2.91","","- Ba0.97 Ce0.87 La0.03 O2.91 Y0.13 -","- Ba0.97 Ce0.87 La0.03 O2.91 Y0.13 -","- Ba3.88 Ce3.48 La0.12 O11.64 Y0.52 -","4","0.5","","Kruth, A.; Davies, R.A.; Islam, M.S.; Irvine, J.T.S.","Combined neutron diffraction and atomistic modeling studies of structure, defects, and water incorporation in doped barium cerate perovskites","Chemistry of Materials (1,1989-)","2007","19","","1239","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002402","6.1953","","6.199","","8.7567","","90","","90","","90","","336.298","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ba0.90 La0.10) (Ce0.80 Y0.20) O2.83","","- Ba0.9 Ce0.8 La0.1 O2.83 Y0.2 -","- Ba0.9 Ce0.8 La0.1 O2.83 Y0.2 -","- Ba3.6 Ce3.2 La0.4 O11.32 Y0.8 -","4","0.5","","Kruth, A.; Davies, R.A.; Islam, M.S.; Irvine, J.T.S.","Combined neutron diffraction and atomistic modeling studies of structure, defects, and water incorporation in doped barium cerate perovskites","Chemistry of Materials (1,1989-)","2007","19","","1239","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002415","5.69348","","5.69348","","28.5751","","90","","90","","120","","802.184","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Mn0.42 Co0.58) O2.83","","- Ba Co0.58 Mn0.42 O2.83 -","- Ba Co0.578 Mn0.422 O2.83333 -","- Ba12 Co6.936 Mn5.064 O34 -","12","0.5","","Miranda, L.; Ramirez-Castellanos, J.; Varela, A.; Gonzalez-Calbet, J.; Parras, M.; Hernando, M.; Fernandez-Diaz, M.T.; Hernandez, M.G.","Structural chemistry and magnetic properties of the Ba Mn0.4 Co0.6 O2.83 hexagonal perovskite","Chemistry of Materials (1,1989-)","2007","19","","1503","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031646","7.06","","4.12","","8.47","","90","","90","","90","","246.369","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U S2","","- S2 U -","- S2 U -","- S8 U4 -","4","0.5","","Ellert, G.V.; Kuz'micheva, G.M.; Slovyanskikh, V.K.; Eliseev, A.A.; Morozov, S.P.","Morphological and structural investigations of crystals of uranium chalcogenides","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1974","19","","1548","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031647","7.57","","4.26","","8.97","","90","","90","","90","","289.266","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U Se2","","- Se2 U -","- Se2 U -","- Se8 U4 -","4","0.5","","Ellert, G.V.; Kuz'micheva, G.M.; Eliseev, A.A.; Slovyanskikh, V.K.; Morozov, S.P.","Morphological and structural investigations of crystals of uranium chalcogenides","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1974","19","","1548","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4039019","5.5075","0.0016","5.6395","0.0015","19.524","0.006","90","","93.936","0.009","90","","605","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C24 H30 N2 O6 S2 -","2","1","","Joyeux, Benjamin; Gamet, Antoine; Casaretto, Nicolas; Nay, Bastien","Asymmetric synthesis of a stereopentade fragment toward latrunculins","Beilstein Journal of Organic Chemistry","2023","19","","428","433","10.3762/bjoc.19.32","","","0.71073","MoKα","","0.1064","0.0832","","","0.2167","0.2346","","","","","","1.078","","","","has coordinates,has disorder","282631","2023-04-14","01:54:22",""
"4063195","8.6646","0.0002","9.6965","0.0001","25.4076","0.0006","90","","90","","90","","2134.65","0.07","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H4 As Cl F18 -","- C18 H4 As Cl F18 -","- C72 H16 As4 Cl4 F72 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71073","MoKα","","0.0403","0.0334","","","0.0775","0.0822","","","","","","1.062","","","","has coordinates,has disorder","301829","2025-08-20","12:17:34",""
"4063196","8.705","0.009","30.38","0.01","8.167","0.004","90","","91.53","0.06","90","","2159","2","296","1","296","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H4 As Cl F18 -","- C18 H4 As Cl F18 -","- C72 H16 As4 Cl4 F72 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71073","MoKα","","","0.067","","","0.073","0.073","","","","","","1.73","","","","has coordinates,has disorder","301829","2025-08-20","12:17:34",""
"4063197","8.296","0.002","30.43","0.007","8.779","0.003","90","","94.03","0.003","90","","2211","1","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H4 Cl F18 Sb -","- C18 H4 Cl F18 Sb -","- C72 H16 Cl4 F72 Sb4 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","1.54178","CuKα","","","0.055","","","","0.22","","","","","","1","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063198","16.172","0.004","17.758","0.002","9.119","0.001","90","","90","","90","","2618.8","0.6","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H4 F21 O3 S Sb -","- C19 H4 F21 O3 S Sb -","- C76 H16 F84 O12 S4 Sb4 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71069","MoKα","","","0.043","","","0.044","0.044","","","","","","1.4","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063201","10.758","0.004","10.987","0.004","24.968","0.009","91.809","0.005","96.237","0.005","116.248","0.005","2621","2","238","2","238","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H64 N4 Na2 O4 Yb -","- C58 H64 N4 Na2 O4 Yb -","- C116 H128 N8 Na4 O8 Yb2 -","2","1","","Tiffany Dube; Dominique Freckmann; Sabrina Conoci; Sandro Gambarotta; Glenn P. A. Yap","Monomeric and Octameric Divalent Ytterbium Complexes of Diphenylmethyl Dipyrrolyl Dianion","Organometallics","2000","19","","209","211","10.1021/om990798z","","","0.71073","MoKα","","0.0722","0.0518","","","0.1021","0.1076","","","","","","1.055","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063202","17.254","0.004","19.145","0.004","19.659","0.004","61.167","0.005","84.757","0.004","74.114","0.004","5465","2","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C240 H272 Cl2 Li2 N16 O18 Yb8 -","- C240 H272 Cl2 Li2 N16 O18 Yb8 -","- C240 H272 Cl2 Li2 N16 O18 Yb8 -","1","0.5","","Tiffany Dube; Dominique Freckmann; Sabrina Conoci; Sandro Gambarotta; Glenn P. A. Yap","Monomeric and Octameric Divalent Ytterbium Complexes of Diphenylmethyl Dipyrrolyl Dianion","Organometallics","2000","19","","209","211","10.1021/om990798z","","","0.71073","MoKα","","0.1158","0.058","","","0.1211","0.138","","","","","","1.041","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063203","9.595","0.002","13.832","0.004","10.998","0.004","90","","107.96","0.02","90","","1388.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{η^4^:η^4^-[3~4~]Cyclobutadienophane}bis(η^5^- methoxycarbonylcyclopentadienyl)cobalt (2)","","- C34 H38 Co2 O4 -","- C34 H38 Co2 O4 -","- C68 H76 Co4 O8 -","2","0.5","","Rolf Gleiter; Rolf Roers; Jörg Classen; Albrecht Jacobi; Gottfried Huttner; Thomas Oeser","Synthesis and Properties of Donor-Acceptor-Substituted Metal-Capped Fourfold-Bridged Cyclobutadienophanes","Organometallics","2000","19","","147","151","10.1021/om9907270","","","0.71073","MoKα","","0.05","0.035","","","0.092","0.099","","","","","","1.042","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063204","20.022","0.004","8.155","0.002","16.421","0.003","90","","110.85","0.03","90","","2505.7","0.9","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{η^4^:η^4^-[3~4~]Cyclobutadienophane}(η^5^- methoxycarbonylcyclopentadienyl)(η^5^- cyclopentadienyl)cobalt (5)","","- C32 H36 Co2 O2 -","- C32 H36 Co2 O2 -","- C128 H144 Co8 O8 -","4","1","","Rolf Gleiter; Rolf Roers; Jörg Classen; Albrecht Jacobi; Gottfried Huttner; Thomas Oeser","Synthesis and Properties of Donor-Acceptor-Substituted Metal-Capped Fourfold-Bridged Cyclobutadienophanes","Organometallics","2000","19","","147","151","10.1021/om9907270","","","0.71073","MoKα","","0.0704","0.0397","","","0.0745","0.0814","","","","","","1.027","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063205","14.033","0.003","15.803","0.003","14.497","0.003","90","","109.59","0.03","90","","3028.8","1.1","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{η^4^:η^4^-[3~4~]Cyclobutadienophane}(η^5^- methoxycarbonylcyclopentadienyl)(η^5^- pentamethyl-cyclopentadienyl)cobalt (7)","","- C37 H46 Co2 O2 -","- C37 H46 Co2 O2 -","- C148 H184 Co8 O8 -","4","1","","Rolf Gleiter; Rolf Roers; Jörg Classen; Albrecht Jacobi; Gottfried Huttner; Thomas Oeser","Synthesis and Properties of Donor-Acceptor-Substituted Metal-Capped Fourfold-Bridged Cyclobutadienophanes","Organometallics","2000","19","","147","151","10.1021/om9907270","","","0.71073","MoKα","","0.0686","0.0373","","","0.0738","0.0797","","","","","","0.973","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063206","10.623","0.009","11.739","0.009","24.887","0.021","90","","102.28","0.02","90","","3032.4","4.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Fe O5 -","- C36 H28 Fe O5 -","- C144 H112 Fe4 O20 -","4","1","","Hari K. Gupta; Nicole Rampersad; Mark Stradiotto; Michael J. McGlinchey","Rhodium Acetylacetonate and Iron Tricarbonyl Complexes of Tetracyclone and 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone: An X-ray Crystallographic and NMR Study","Organometallics","2000","19","","184","191","10.1021/om990559b","","","0.71073","MoKα","","0.2075","0.0944","","0.2594","0.2008","","","","0.909","1.187","1.187","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063207","10.618","0.003","21.506","0.006","12.99","0.003","90","","102.332","0.013","90","","2897.8","1.3","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Fe2 O4 -","- C36 H24 Fe2 O4 -","- C144 H96 Fe8 O16 -","4","1","","Hari K. Gupta; Nicole Rampersad; Mark Stradiotto; Michael J. McGlinchey","Rhodium Acetylacetonate and Iron Tricarbonyl Complexes of Tetracyclone and 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone: An X-ray Crystallographic and NMR Study","Organometallics","2000","19","","184","191","10.1021/om990559b","","","0.71073","MoKα","","0.0506","0.0283","","0.0721","0.0663","","","","0.909","1.008","1.008","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063208","8.823","0.003","12.404","0.004","15.694","0.005","66.929","0.007","81.291","0.008","73.873","0.006","1516.2","0.8","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 O4 Rh -","- C34 H29 O4 Rh -","- C68 H58 O8 Rh2 -","2","1","","Hari K. Gupta; Nicole Rampersad; Mark Stradiotto; Michael J. McGlinchey","Rhodium Acetylacetonate and Iron Tricarbonyl Complexes of Tetracyclone and 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone: An X-ray Crystallographic and NMR Study","Organometallics","2000","19","","184","191","10.1021/om990559b","","","0.71073","MoKα","","0.133","0.1161","","0.3462","0.3339","","","","1.52","1.653","1.653","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063209","20.834","0.011","12.455","0.007","25.752","0.02","90","","97.09","0.02","90","","6631.2","7.4","299","2","299","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H31 Fe O3 Rh -","- C38 H31 Fe O3 Rh -","- C304 H248 Fe8 O24 Rh8 -","8","1","","Hari K. Gupta; Nicole Rampersad; Mark Stradiotto; Michael J. McGlinchey","Rhodium Acetylacetonate and Iron Tricarbonyl Complexes of Tetracyclone and 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone: An X-ray Crystallographic and NMR Study","Organometallics","2000","19","","184","191","10.1021/om990559b","","","0.71073","MoKα","","0.094","0.0478","","0.1123","0.0997","","","","0.913","1.079","1.079","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063212","8.3011","0.0014","19.742","0.003","14.552","0.003","90","","93.448","0.015","90","","2380.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{(C5Me5)Ir}2B4H8","","- C20 H38 B4 Ir2 -","- C20 H38 B4 Ir2 -","- C80 H152 B16 Ir8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Utilization of Transition-Metal Properties To Control Polyborane Formation. Synthesis of the arachno-Diiridahexaborane(12) 2,5-{Cp*IrH}2B4H8 and Its Conversion to the nido-Diiridahexaborane(10) 1,2-{Cp*Ir}2(-H)B4H7 (Cp* =5-C5Me5)","Organometallics","2000","19","","118","120","10.1021/om990816c","","","0.71073","MoKα","","0.0551","0.0382","","","0.0942","0.1007","","","","","","1.118","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063213","8.7599","0.0007","8.7599","0.0007","30.4203","0.001","90","","90","","90","","2334.3","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","{(C5Me5)Ir2B4H10","","- C20 H40 B4 Ir2 -","- C20 H40 B4 Ir2 -","- C80 H160 B16 Ir8 -","4","0.5","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Utilization of Transition-Metal Properties To Control Polyborane Formation. Synthesis of the arachno-Diiridahexaborane(12) 2,5-{Cp*IrH}2B4H8 and Its Conversion to the nido-Diiridahexaborane(10) 1,2-{Cp*Ir}2(-H)B4H7 (Cp* =5-C5Me5)","Organometallics","2000","19","","118","120","10.1021/om990816c","","","0.71073","MoKα","","0.0498","0.0429","","0.1003","0.0968","","","","1.112","1.132","1.132","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4077455","9.968","0.002","15.862","0.003","26.481","0.005","90","","90.56","0.03","90","","4186.8","1.4","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 Bi Cl Mo2 O6 -","- C39 H50 Bi Cl Mo2 O6 -","- C156 H200 Bi4 Cl4 Mo8 O24 -","4","1","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.0762","0.0643","","","0.1549","0.1612","","","","","","1.05","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077456","7.216","0.0014","9.698","0.002","15.022","0.003","81.2","0.03","84.06","0.03","71.59","0.03","984","0.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H5 Bi Co2 Fe O10 -","- C15 H5 Bi Co2 Fe O10 -","- C30 H10 Bi2 Co4 Fe2 O20 -","2","1","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKa","","0.0368","0.0302","","0.0744","0.0685","","","","1.077","1.051","1.051","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077457","9.796","0.002","11.19","0.002","12.212","0.002","90","","104.51","0.03","90","","1295.9","0.4","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C13 H2 Bi4 Cl2 Co4 O12 -","- C13 H3 Bi4 Cl2 Co4 O12 -","- C26 H6 Bi8 Cl4 Co8 O24 -","2","0.5","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.063","0.0551","","","0.1367","0.1426","","","","","","1.092","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077458","9.654","0.002","9.756","0.002","27.598","0.004","83.25","0.03","81.25","0.03","63.9","0.03","2303.3","1","200","1","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Bi2 Fe5 O13 -","- C39 H42 Bi2 Fe5 O13 -","- C78 H84 Bi4 Fe10 O26 -","2","1","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.046","0.0333","","0.0833","0.0796","","","","1.064","1.141","1.141","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077459","17.677","0.004","13.518","0.003","12.95","0.003","90","","90","","90","","3094.5","1.2","200","1","200","1","","","","","","","","6","A b m 2","A 2 -2b","39","","","","- C23 H21 Bi3 Fe O10 W2 -","- C24 H21 Bi3 Fe O10 W2 -","- C96 H84 Bi12 Fe4 O40 W8 -","4","","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.1326","0.1171","","","0.2646","0.2726","","","","","","1.325","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077460","17.835","0.003","13.276","0.002","18.353","0.004","90","","112.88","0.03","90","","4003.7","1.5","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Bi Cl7 Mo2 O3 -","- C32 H50 Bi Cl7 Mo2 O3 -","- C128 H200 Bi4 Cl28 Mo8 O12 -","4","1","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.0523","0.043","","0.1086","0.1047","","","","0.954","1.021","1.021","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077461","8.324","0.001","14.841","0.003","16.296","0.002","90","","93.01","0.007","90","","2010.4","0.5","293","2","293","2","","","","","","","synthesis by authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 Fe2 N2 O6 S -","- C15 H15 F3 Fe2 N2 O6 S -","- C60 H60 F12 Fe8 N8 O24 S4 -","4","1","","Guennou-de Cadenet, Karine; Rumin, René; Pétillon, François Y.; Muir, Kenneth W.","Carbon−Fluorine Bond Cleavages and Organoiron Ring Transformations: Reaction of a Perfluorosulfanylvinyldiiron(I) Complex with Amines","Organometallics","2000","19","10","1912","","10.1021/om000003k","","","0.71073","MoKα","","0.2896","0.1235","","0.4648","0.3092","","","","0.869","1.01","1.01","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077462","8.083","0.0008","15.5721","0.0012","8.617","0.0005","90","","116.66","0.006","90","","969.3","0.14","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H13 F3 Fe2 N2 O6 S -","- C15 H13 F3 Fe2 N2 O6 S -","- C30 H26 F6 Fe4 N4 O12 S2 -","2","1","","Guennou-de Cadenet, Karine; Rumin, René; Pétillon, François Y.; Muir, Kenneth W.","Carbon−Fluorine Bond Cleavages and Organoiron Ring Transformations: Reaction of a Perfluorosulfanylvinyldiiron(I) Complex with Amines","Organometallics","2000","19","10","1912","","10.1021/om000003k","","","0.71073","MoKα","","0.0433","0.0335","","","0.081","0.0847","","","","","","1.043","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077463","13.762","0.0013","9.9905","0.001","15.0431","0.0015","90","","93.064","0.004","90","","2065.3","0.4","293","2","293","2","","","","","","","synthesis by authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 Fe2 N2 O6 S -","- C15 H15 F3 Fe2 N2 O6 S -","- C60 H60 F12 Fe8 N8 O24 S4 -","4","1","","Guennou-de Cadenet, Karine; Rumin, René; Pétillon, François Y.; Muir, Kenneth W.","Carbon−Fluorine Bond Cleavages and Organoiron Ring Transformations: Reaction of a Perfluorosulfanylvinyldiiron(I) Complex with Amines","Organometallics","2000","19","10","1912","","10.1021/om000003k","","","0.71073","MoKα","","0.0617","0.0388","","0.112","0.1007","","","","1.01","1.103","1.103","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077464","10.1874","0.0023","29.2144","0.0016","13.2192","0.0012","90","","104.392","0.011","90","","3810.8","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H47 B9 Cl I N O P Ru -","- C29.5 H47 B9 Cl I N O P Ru -","- C118 H188 B36 Cl4 I4 N4 O4 P4 Ru4 -","4","1","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.0606","0.0388","","","0.0786","0.0891","","","1.068","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077465","9.4769","0.0016","10.7559","0.0012","16.4336","0.0018","109.085","0.01","94.81","0.013","107.214","0.012","1481.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 B9 O P Ru -","- C29 H32 B9 O P Ru -","- C58 H64 B18 O2 P2 Ru2 -","2","1","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.0362","0.03","","","0.0766","0.0799","","","","","","1.092","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077466","10.5524","0.0014","21.874","0.003","16.108","0.0011","90","","102.821","0.008","90","","3625.4","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B9 Cl2 N O P Ru -","- C29 H39 B9 Cl2 N O P Ru -","- C116 H156 B36 Cl8 N4 O4 P4 Ru4 -","4","1","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.0572","0.0353","","","0.0736","0.089","","","","","","1.087","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077467","15.1493","0.0011","19.5483","0.0016","24.609","0.002","90","","90","","90","","7287.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B9 O P Ru -","- C33 H46 B9 O P Ru -","- C264 H368 B72 O8 P8 Ru8 -","8","1","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.1636","0.0651","","","0.0951","0.13","","","","","","1.022","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077468","9.4366","0.0018","13.2239","0.0011","22.802","0.003","83.046","0.008","79.024","0.014","70.639","0.011","2630.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 B9 O P Ru -","- C23 H28 B9 O P Ru -","- C92 H112 B36 O4 P4 Ru4 -","4","2","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.0361","0.026","","","0.0598","0.0691","","","","","","1.075","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077469","12.32","0.003","37.838","0.01","10.216","0.003","90","","90","","90","","4762","2","97","","97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C27 H33 O3 P -","- C27 H33 O3 P -","- C216 H264 O24 P8 -","8","1","","Romain, Jeff K.; Ribblett, Jason W.; Byrn, Robert W.; Snyder, Richard D.; Storhoff, Bruce N.; Huffman, John C.","Synthesis and Properties of Phenyl Phosphines with Meta-Positioned Methyl Groups and the X-ray Structure of Tris(3,5-dimethyl-4-methoxyphenyl)phosphine","Organometallics","2000","19","10","2047","","10.1021/om000019a","","","0.71069","MoKα","","","0.0523","","","","0.0413","","","","","","1.4652","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077470","10.7962","0.0019","10.943","0.003","13.959","0.003","107.392","0.015","95.6","0.02","100.476","0.019","1527.1","0.6","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H33 B10 Mo O4 P -","- C26 H33 B10 Mo O4 P -","- C52 H66 B20 Mo2 O8 P2 -","2","1","","Ellis, Dianne D.; Franken, Andreas; Jelliss, Paul A.; Stone, F. Gordon A.; Yu, Pui-Yin","Synthesis and Reactivity of Monocarbollide Carbonyl Complexes of Iron and Molybdenum with Icosahedral Frameworks†","Organometallics","2000","19","10","1993","","10.1021/om000033n","","","0.71073","MoKα","","0.0269","0.0221","","","0.0568","0.0576","","","","","","0.962","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077471","17.5961","0.0014","16.6039","0.0013","16.8279","0.0013","90","","102.73","0.02","90","","4795.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B10 Fe O4 -","- C8 H18 B10 Fe O4 -","- C96 H216 B120 Fe12 O48 -","12","3","","Ellis, Dianne D.; Franken, Andreas; Jelliss, Paul A.; Stone, F. Gordon A.; Yu, Pui-Yin","Synthesis and Reactivity of Monocarbollide Carbonyl Complexes of Iron and Molybdenum with Icosahedral Frameworks†","Organometallics","2000","19","10","1993","","10.1021/om000033n","","","0.71073","MoKα","","0.0605","0.0389","","","0.094","0.0997","","","","","","0.948","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077473","14.212","0.002","11.9479","0.0012","16.337","0.002","90","","96.911","0.012","90","","2753.9","0.6","466","2","466","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O8 Ru3 -","- C28 H20 O8 Ru3 -","- C112 H80 O32 Ru12 -","4","1","","Charmant, Jonathan P. H.; Davies, Guy; King, Philip J.; Wigginton, James R.; Sappa, E.","Reactivity of a Triruthenium Acetylide Complex toward Alkynes and the Silica-Mediated Dehydration of Cluster-Bound Alkynols: X-ray Crystal Structures of the Novel Butadienyl Species [Ru3(CO)8{μ3-η8-C(But)CC(Ph)C(H)Ph}] and the Unusual Complex [Ru3(CO)5(μ-CO){μ3-η5-CC(But)- OC(Ph)2CCH}{μ3-η6-CHC(CPh2OH)COC(CPh2)CH}]","Organometallics","2000","19","12","2330","","10.1021/om000048l","","","0.71073","MoKα","","0.0276","0.0252","","","0.0664","0.068","","","","","","1.178","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077474","9.8161","0.0017","12.972","0.003","19.602","0.003","81.76","0.03","78.649","0.018","87.883","0.018","2421.8","0.8","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H43 O9.5 Ru3 -","- C55 H42 O9.5 Ru3 -","- C110 H84 O19 Ru6 -","2","1","","Charmant, Jonathan P. H.; Davies, Guy; King, Philip J.; Wigginton, James R.; Sappa, E.","Reactivity of a Triruthenium Acetylide Complex toward Alkynes and the Silica-Mediated Dehydration of Cluster-Bound Alkynols: X-ray Crystal Structures of the Novel Butadienyl Species [Ru3(CO)8{μ3-η8-C(But)CC(Ph)C(H)Ph}] and the Unusual Complex [Ru3(CO)5(μ-CO){μ3-η5-CC(But)- OC(Ph)2CCH}{μ3-η6-CHC(CPh2OH)COC(CPh2)CH}]","Organometallics","2000","19","12","2330","","10.1021/om000048l","","","0.71073","MoKα","","0.0699","0.0441","","","0.1029","0.1371","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077475","10.5781","0.0019","15.541","0.003","17.914","0.005","100.436","0.01","96","0.02","108.794","0.015","2699.5","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H46 Cl2 O9 Ru3 -","- C59 H46 Cl2 O9 Ru3 -","- C118 H92 Cl4 O18 Ru6 -","2","1","","Charmant, Jonathan P. H.; Davies, Guy; King, Philip J.; Wigginton, James R.; Sappa, E.","Reactivity of a Triruthenium Acetylide Complex toward Alkynes and the Silica-Mediated Dehydration of Cluster-Bound Alkynols: X-ray Crystal Structures of the Novel Butadienyl Species [Ru3(CO)8{μ3-η8-C(But)CC(Ph)C(H)Ph}] and the Unusual Complex [Ru3(CO)5(μ-CO){μ3-η5-CC(But)- OC(Ph)2CCH}{μ3-η6-CHC(CPh2OH)COC(CPh2)CH}]","Organometallics","2000","19","12","2330","","10.1021/om000048l","","","0.71073","MoKα","","0.0797","0.038","","","0.0544","0.0628","","","","","","0.921","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077476","12.546","0.005","18.212","0.004","12.838","0.008","90","","118.11","0.05","90","","2587","2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H72 O4 P2 Si4 Yb -","- C38 H72 O4 P2 Si4 Yb -","- C76 H144 O8 P4 Si8 Yb2 -","2","0.5","","Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M.","Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center","Organometallics","2000","19","11","2090","","10.1021/om000057u","","","0.71073","MoKα","","0.0918","0.0693","","","0.1822","0.1892","","","","","","1.001","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077477","20.323","0.004","20.323","0.004","12.743","0.003","90","","90","","90","","5263.2","1.9","160","2","160","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H164 O12 P4 Si8 Yb4 -","- C68 H124 O8 P4 Si8 Yb4 -","- C136 H248 O16 P8 Si16 Yb8 -","2","0.25","","Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M.","Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center","Organometallics","2000","19","11","2090","","10.1021/om000057u","","","0.71073","MoKα","","0.0257","0.0233","","","0.0534","0.0544","","","","","","1.022","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077478","10.5525","0.0007","10.8527","0.0009","15.0268","0.0011","95.024","0.003","105.047","0.004","111.37","0.004","1515.6","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis(dicyclohexylamino)phosphoranimin-N-trimethylalane","","- C27 H55 Al N3 P -","- C27 H55 Al N3 P -","- C54 H110 Al2 N6 P2 -","2","1","","Schulz, S.; Raab, M.; Nieger, M.; Niecke, E.","Syntheses and X-ray Structures of Novel Main Group Bis(dialkylamino)phosphinimides†","Organometallics","2000","19","13","2616","","10.1021/om000059e","","","0.71073","MoKα","","0.0649","0.041","","","0.097","0.1032","","","","","","0.953","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077479","11.7878","0.0002","35.4013","0.001","18.3712","0.0004","90","","91.813","0.002","90","","7662.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dicyclohexylamino)phosphoranimin-N-tris(tert.butyl)alane","","- C36 H73 Al N3 P -","- C36 H73 Al N3 P -","- C288 H584 Al8 N24 P8 -","8","2","","Schulz, S.; Raab, M.; Nieger, M.; Niecke, E.","Syntheses and X-ray Structures of Novel Main Group Bis(dialkylamino)phosphinimides†","Organometallics","2000","19","13","2616","","10.1021/om000059e","","","0.71073","MoKα","","0.078","0.0497","","","0.1293","0.1386","","","","","","1.056","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077480","9.0387","0.0002","11.3829","0.0004","14.5238","0.0005","97.738","0.002","106.838","0.002","101.366","0.002","1372.61","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H102 Al2 N6 P2 -","- C52 H102 Al2 N6 P2 -","- C52 H102 Al2 N6 P2 -","1","0.5","","Schulz, S.; Raab, M.; Nieger, M.; Niecke, E.","Syntheses and X-ray Structures of Novel Main Group Bis(dialkylamino)phosphinimides†","Organometallics","2000","19","13","2616","","10.1021/om000059e","","","0.71073","MoKα","","0.0489","0.0366","","","0.0921","0.0963","","","","","","1.077","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077481","9.6873","0.0006","12.82","0.0009","14.2885","0.0012","98.725","0.004","105.978","0.004","106.748","0.004","1581.3","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H120 Al2 N6 O P2 -","- C60 H120 Al2 N6 O P2 -","- C60 H120 Al2 N6 O P2 -","1","0.5","","Schulz, S.; Raab, M.; Nieger, M.; Niecke, E.","Syntheses and X-ray Structures of Novel Main Group Bis(dialkylamino)phosphinimides†","Organometallics","2000","19","13","2616","","10.1021/om000059e","","","0.71073","MoKα","","0.066","0.0471","","","0.1275","0.1351","","","","","","1.071","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077482","5.273","0.001","7.62","0.002","10.972","0.002","83.21","0.01","89","0.02","82.02","0.02","433.53","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[CuCl(coct)]2","bis(chloro-cyclooctyne-copper)","","- C16 H24 Cl2 Cu2 -","- C16 H24 Cl2 Cu2 -","- C16 H24 Cl2 Cu2 -","1","0.5","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0305","0.0284","","","0.0772","0.0786","","","","","","1.088","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077483","4.789","0.002","7.837","0.001","23.697","0.005","90","","92.52","0.03","90","","888.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[CuBr(coct)]2","bis(bromo-cyclooctyne-copper)","","- C16 H24 Br2 Cu2 -","- C16 H24 Br2 Cu2 -","- C32 H48 Br4 Cu4 -","2","0.5","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0493","0.0317","","","0.0695","0.0762","","","","","","1.034","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077484","4.981","0.003","9.192","0.004","10.763","0.006","85.39","0.04","80.17","0.06","81.45","0.05","479.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[CuI(coct)]2","bis(iodo-cyclooctyne-copper)","","- C16 H24 Cu2 I2 -","- C16 H24 Cu2 I2 -","- C16 H24 Cu2 I2 -","1","0.5","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0633","0.0596","","","0.1524","0.1564","","","","","","1.076","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077485","13.1012","0.0002","15.9906","0.0003","15.1661","0.0001","90","","106.166","0.001","90","","3051.61","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[CuCl(coct)2]","chloro-bis(cyclooctyne)copper","","- C16 H24 Cl Cu -","- C16 H24 Cl Cu -","- C128 H192 Cl8 Cu8 -","8","2","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0528","0.036","","","0.0743","0.0813","","","","","","1.039","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077486","14.79","0.009","9.315","0.007","22.093","0.015","90","","90","","90","","3044","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CuBr(coct)2]","bromo-bis(cyclooctyne)copper","","- C16 H24 Br Cu -","- C16 H24 Br Cu -","- C128 H192 Br8 Cu8 -","8","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","1.54178","CuKα","","0.0971","0.0483","","","0.1201","0.1416","","","","","","0.998","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077487","15.109","0.0001","9.3298","0.0001","22.6794","0.0002","90","","90","","90","","3196.98","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CuI(coct)2]","bis(cyclooctyne)iodo-copper","","- C16 H24 Cu I -","- C16 H24 Cu I -","- C128 H192 Cu8 I8 -","8","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0406","0.031","","","0.069","0.0723","","","","","","0.975","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077488","13.405","0.003","11.605","0.002","14.831","0.003","90","","110.06","0.03","90","","2167.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu2Br2(coct)(tmtch)]n","dibromo(cyclooctyne)(3,3,6,6-tetramethyl-1-thia-cycloheptyne)dicopper polymer","","- C18 H28 Br2 Cu2 S -","- C18 H28 Br2 Cu2 S -","- C72 H112 Br8 Cu8 S4 -","4","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.091","0.0466","","","0.1035","0.1183","","","","","","0.935","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077489","16.319","0.003","49.65","0.01","7.487","0.001","90","","90","","90","","6066.3","1.8","183","2","183","2","","","","","","","synthesis","3","F d d 2","F 2 -2d","43","","","","- C34 H44 N2 -","- C34 H44 N2 -","- C272 H352 N16 -","8","0.5","","Nückel, Stefan; Burger, Peter","Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†","Organometallics","2000","19","17","3305","","10.1021/om000084k","","","0.71073","MoKα","","0.0941","0.0499","","0.0909","0.0823","","","","0.992","1.241","1.241","","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077490","9.163","0.001","10.253","0.001","23.038","0.003","88.71","0.01","80.04","0.01","81.62","0.01","2109","0.4","193","2","193","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C44 H69 Li N4 -","- C44 H69 Li N4 -","- C88 H138 Li2 N8 -","2","1","","Nückel, Stefan; Burger, Peter","Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†","Organometallics","2000","19","17","3305","","10.1021/om000084k","","","0.71073","MoKα","","0.0926","0.0557","","0.1734","0.1376","","","","1.034","1.237","1.237","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077491","12.979","0.001","15.703","0.001","22.942","0.002","90","","94.61","0.01","90","","4660.7","0.6","183","2","183","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H77 Li2 N2 O1.5 -","- C48 H72 Li2 N2 O1.5 -","- C192 H288 Li8 N8 O6 -","4","1","","Nückel, Stefan; Burger, Peter","Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†","Organometallics","2000","19","17","3305","","10.1021/om000084k","","","0.71073","MoKα","","0.1319","0.0429","","0.0719","0.06","","","","0.644","1.029","1.029","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077492","14.356","0.001","14.888","0.001","19.76","0.002","90","","99","0.01","90","","4171.4","0.6","193","2","193","2","","","","","","","synthesis","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H62 Li2 N2 O4 -","- C42 H62 Li2 N2 O4 -","- C168 H248 Li8 N8 O16 -","4","0.5","","Nückel, Stefan; Burger, Peter","Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†","Organometallics","2000","19","17","3305","","10.1021/om000084k","","","0.71073","MoKα","","0.0895","0.0631","","0.1657","0.1551","","","","1.068","1.268","1.268","","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077493","12.762","0.014","16.3","0.02","24.71","0.09","90","","90","","90","","5140","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H67 Cl3 N4 O4 P2 Ru -","- C42 H67 Cl3 N4 O4 P2 Ru -","- C168 H268 Cl12 N16 O16 P8 Ru4 -","4","1","","Mosquera, Marta E. G.; Ruiz, Javier; Riera, Víctor; Garcia-Granda, Santiago; Salvadó, Miguel A.","Complexes of Ruthenium(II) with Unsymmetrical Diphosphines and Diphosphinomethanides. A Way to Synthesize Chiral Metallodiphosphines","Organometallics","2000","19","25","5533","","10.1021/om000097y","","","0.71073","MoKα","","0.0856","0.0495","","","0.1288","0.1335","","","","","","1.09","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077494","9.7555","0.0015","20.737","0.003","10.4","0.002","90","","107.837","0.001","90","","2002.8","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dichloro{1-{(R)-1-[(S)-2-(diphenylphosphino-(kP)ferrocenyl]ethyl}-3-phenyl-5-methyl-1H-pyrazole-(kN}palladium (2)","","","- C36 H34 Cl7 Fe N2 P Pd -","- C36 H34 Cl7 Fe N2 P Pd -","- C72 H68 Cl14 Fe2 N4 P2 Pd2 -","2","1","","Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio","Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies","Organometallics","2000","19","11","2144","","10.1021/om000130g","","","0.71073","MoKα","","0.0808","0.0642","","0.1936","0.1791","","","","1.007","1.063","1.063","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077495","17.966","0.012","17.966","0.012","10.785","0.007","90","","90","","120","","3015","3","293","2","293","2","","","","","","","","8","P 32","P 32","145","","Bis(trichlorosilyl)-{1-{(R)-1-[(S)-2-(diphenylphosphino-kP)ferrocenyl]ethyl}- 3-phenyl-5-methyl-1H-pyrazole-kN}palladium (5)","","- C35 H33 Cl8 Fe N2 P Pd Si2 -","- C34.3 H31 Cl6.6 Fe N2 P Pd Si2 -","- C102.9 H93 Cl19.8 Fe3 N6 P3 Pd3 Si6 -","3","1","","Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio","Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies","Organometallics","2000","19","11","2144","","10.1021/om000130g","","","0.71073","MoKα","","0.0489","0.0385","","","0.0901","0.1042","","","","","","1.091","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077496","10.551","0.002","16.746","0.003","11.634","0.002","90","","105.28","0.03","90","","1982.9","0.7","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Bis(trichlorosilyl)-{1-{(R)-1-[(S)-2-(diphenylphosphino-(P)ferrocenyl]ethyl}- 3-(2,4,6-trimethylphenyl)-1H-pyrazole-(N}palladium (6)","","- C36 H35 Cl6 Fe N2 P Pd Si2 -","- C36 H35 Cl6 Fe N2 P Pd Si2 -","- C72 H70 Cl12 Fe2 N4 P2 Pd2 Si4 -","2","1","","Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio","Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies","Organometallics","2000","19","11","2144","","10.1021/om000130g","","","0.71073","MoKα","","0.0767","0.0535","","0.1431","0.1296","","","","1.007","1.055","1.055","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077497","12.648","0.003","15.678","0.003","11.565","0.003","109.373","0.019","110.63","0.02","90.69","0.02","2003","0.9","170.2","","170.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 B F10 Ti -","- C24 H12 B F10 Ti -","- C96 H48 B4 F40 Ti4 -","4","2","","Chase, Preston A.; Piers, Warren E.; Parvez, Masood","Reactions of Bis(pentafluorophenyl)borane with Titanocene Dialkyls: Synthesis and Structure of Cp2Ti[η2-H2B(C6F5)2]","Organometallics","2000","19","10","2040","","10.1021/om0001319","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077498","12.5653","0.0012","17.516","0.002","17.705","0.002","68.232","0.01","80.442","0.009","81.676","0.01","3553.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H42 Cl2 F20 P4 Pt4 -","- C73 H42 Cl2 F20 P4 Pt4 -","- C146 H84 Cl4 F40 P8 Pt8 -","2","1","","Alonso, Ester; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy","Polynuclear Homo- or Heterometallic Palladium(II)−Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 8.†Syntheses and Reactivity of the Tetranuclear [Pt4(μ2-PPh2)3{μ3-PPh(1,2-η2-Ph)-κ3P}(C6F5)4] Cluster","Organometallics","2000","19","14","2690","","10.1021/om000140h","","","0.71073","MoKα","","0.0389","0.0347","","0.1038","0.0981","","","","1.753","1.723","1.723","","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077499","14.129","0.009","15.133","0.006","21.407","0.01","86.17","0.04","75.52","0.05","83.13","0.05","4397","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H60 F20 N2 O2 P4 Pt4 -","- C88 H48 F20 N2 O2 P4 Pt4 -","- C176 H96 F40 N4 O4 P8 Pt8 -","2","1","","Alonso, Ester; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy","Polynuclear Homo- or Heterometallic Palladium(II)−Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 8.†Syntheses and Reactivity of the Tetranuclear [Pt4(μ2-PPh2)3{μ3-PPh(1,2-η2-Ph)-κ3P}(C6F5)4] Cluster","Organometallics","2000","19","14","2690","","10.1021/om000140h","","","0.71073","MoKα","","0.0701","0.0418","","0.1347","0.1126","","","","0.914","0.9","0.9","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077500","10.892","0.0003","11.861","0.0003","12.778","0.0003","73.858","0.0014","77.346","0.0015","87.235","0.0013","1547.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H132 Ag6 N2 Pt2 -","- C58 H80 Ag4 N2 Pt2 -","- C58 H80 Ag4 N2 Pt2 -","1","0.5","","Ara, Irene; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Versatile Behavior of [Pt2Ag4(C⋮C-t-Bu)8]: Synthesis, Structures, and Properties of [{Pt2Ag4(C⋮C-t-Bu)8}{Ag(bipy)}]4+and an Unprecedented Chain Polymeric Cocrystallization Adduct with a 2,2‘-bipy Ligand","Organometallics","2000","19","16","3137","","10.1021/om0001570","","","0.7107","MoKα","","0.0662","0.0534","","","0.1407","0.1579","","","","","","1.214","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077501","14.929","0.001","22.985","0.003","29.596","0.003","90","","91.72","0.01","90","","10151.1","1.8","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H104 Ag8 Cl4 N8 O16 Pt2 -","- C88 H86 Ag8 Cl4 N8 O16 Pt2 -","- C352 H344 Ag32 Cl16 N32 O64 Pt8 -","4","0.5","","Ara, Irene; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Versatile Behavior of [Pt2Ag4(C⋮C-t-Bu)8]: Synthesis, Structures, and Properties of [{Pt2Ag4(C⋮C-t-Bu)8}{Ag(bipy)}]4+and an Unprecedented Chain Polymeric Cocrystallization Adduct with a 2,2‘-bipy Ligand","Organometallics","2000","19","16","3137","","10.1021/om0001570","","","0.71073","MoKα","","0.1091","0.0521","","0.1125","0.0925","","","","1.025","1.13","1.13","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077502","10.4367","0.0011","20.164","0.002","10.573","0.0009","90","","100.243","0.006","90","","2189.6","0.4","193","2","193","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Cl2 Hf N3 P2 Si2 -","- C42 H53 Cl2 Hf N3 P2 Si2 -","- C84 H106 Cl4 Hf2 N6 P4 Si4 -","2","0.5","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes","Organometallics","2000","19","18","3462","","10.1021/om000181d","","","0.71073","MoKa","","0.0411","0.0339","","0.0834","0.0798","","","","1.039","1.063","1.063","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077503","22.7155","0.0015","14.2639","0.0009","12.4956","0.0008","90","","90","","90","","4048.7","0.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H47 Cl2 Hf N3 P2 Si2 -","- C38 H47 Cl2 Hf N3 P2 Si2 -","- C152 H188 Cl8 Hf4 N12 P8 Si8 -","4","1","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes","Organometallics","2000","19","18","3462","","10.1021/om000181d","","","0.71073","MoKα","","0.0528","0.0354","","","0.0727","0.0774","","","","","","0.941","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077504","11.5636","0.0008","18.4194","0.0012","28.0498","0.0019","90","","94.0569","0.0013","90","","5959.5","0.7","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58.5 H80 Cl2 N4 O P2 Si2 Zr -","- C58.5 H76 Cl2 N4 O P2 Si2 Zr -","- C234 H304 Cl8 N16 O4 P8 Si8 Zr4 -","4","1","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes","Organometallics","2000","19","18","3462","","10.1021/om000181d","","","0.71073","MoKα","","0.1015","0.0585","","","0.1516","0.1657","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077505","14.404","0.004","12.704","0.004","29.271","0.006","90","","92.97","0.02","90","","5349","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H162 Ce2 K O6 Si6 -","- C97.344 H150.688 Ce2 K O6 Si6 -","- C194.688 H301.376 Ce4 K2 O12 Si12 -","2","0.5","","Gun'ko, Yurii K.; Hitchcock, Peter B.; Lappert, Michael F.","Nonclassical Organolanthanoid Metal Chemistry: [K([18]-crown-6)(η2-PhMe)2]X (X = [(LnCpt3)2(μ-H)], [(LnCp‘ ‘2)2(μ-η6:η6-PhMe)]) from [LnCpx3], K, and [18]-crown-6 in Toluene (Ln = La, Ce; Cpt= η5-C5H4SiMe2But; Cp‘ ‘ = η5-C5H3(SiMe3)2-1,3)","Organometallics","2000","19","15","2832","","10.1021/om0001873","","","0.71073","MoKα","","0.0712","0.0462","","0.1153","0.1019","","","","1.016","1.043","1.043","","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077506","17.88","0.005","11.301","0.005","16.378","0.005","90","0.005","90","0.005","90","0.005","3309","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cl N3 O Pd -","- C16 H18 Cl N3 O Pd -","- C128 H144 Cl8 N24 O8 Pd8 -","8","1","","Aresta, Michele; Giannoccaro, Potenzo; Tommasi, Immacolata; Dibenedetto, Angela; Manotti Lanfredi, Anna Maria; Ugozzoli, Franco","Synthesis and Solid State and Solution Characterization of Mono- and Di-(η1-C) Carbamoyl−Palladium Complexes. New Efficient Palladium-Catalyzed Routes to Carbamoyl Chlorides: Key Intermediates to Isocyanates, Carbamic Esters, and Ureas","Organometallics","2000","19","19","3879","","10.1021/om000198w","","","0.71069","MoKα","","0.0809","0.0437","","0.1248","0.1139","","","","0.896","1.061","1.061","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077507","16.089","0.005","16.576","0.005","8.216","0.005","90","0.005","90","0.005","90","0.005","2191.1","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H28 N4 O2 Pd -","- C22 H28 N4 O2 Pd -","- C88 H112 N16 O8 Pd4 -","4","1","","Aresta, Michele; Giannoccaro, Potenzo; Tommasi, Immacolata; Dibenedetto, Angela; Manotti Lanfredi, Anna Maria; Ugozzoli, Franco","Synthesis and Solid State and Solution Characterization of Mono- and Di-(η1-C) Carbamoyl−Palladium Complexes. New Efficient Palladium-Catalyzed Routes to Carbamoyl Chlorides: Key Intermediates to Isocyanates, Carbamic Esters, and Ureas","Organometallics","2000","19","19","3879","","10.1021/om000198w","","","0.71069","MoKα","","0.1246","0.0661","","0.1797","0.1586","","","","0.85","1.206","1.206","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077508","9.3683","0.0009","9.5511","0.0009","15.6898","0.0015","75.976","0.002","80.678","0.002","71.735","0.002","1287.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Fe4 O12 S4 -","- C15 H6 Fe4 O12 S4 -","- C30 H12 Fe8 O24 S8 -","2","1","","Song, Li-Cheng; Hu, Qing-Mei; Fan, Hong-Tao; Sun, Bao-Wei; Tang, Ming-Yi; Chen, Yu; Sun, Yi; Sun, Cui-Xiang; Wu, Qiang-Jin","Synthesis and Characterization of Double- and Triple-Butterfly Fe/S Cluster Complexes Obtained from the Novel Butterfly Cluster Anions {(μ-RS)(μ-CO)[Fe2(CO)6]2(μ4-S)}-and (μ-RS)(μ-S-)[Fe2(CO)6]3(μ4-S)2. Crystal Structures of (μ-MeS)(μ-PhNHCS)[Fe2(CO)6]2(μ4-S), (μ-MeS)(μ-MeSCS)[Fe2(CO)6]2(μ4-S), and (μ-PhCH2S)2[Fe2(CO)6]3(μ4-S)2","Organometallics","2000","19","19","3909","","10.1021/om0002071","","","0.71073","MoKα","","0.0495","0.0342","","","0.0788","0.0858","","","","","","0.985","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077509","15.371","0.003","11.934","0.003","19.36","0.005","90","","90","0.01","90","","3551.4","1.5","200","0.2","200","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 B F4 O4 Os2 P2 -","- C28 H47 B F4 O4 Os2 P2 -","- C112 H188 B4 F16 O16 Os8 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Reaction of a Cationic Osmium(IV) Dihydride with Ethylene: Formation and Structure of the Novel Tetraethylene Dimer Complex [{(PiPr3)(η2-C2H4)2Os}2(μ-OH)2(μ-O2CCH3)]BF4","Organometallics","2000","19","16","3260","3262","10.1021/om000214p","","","0.71069","MoKα","","0.0858","0.0488","","","0.1023","0.1162","","","","","","1.02","","","","has coordinates","180536","2020-10-21","18:00:00",""
"4077510","21.787","0.004","8.178","0.002","32.205","0.006","90","","97.23","0.03","90","","5692","2","153","2","153","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C26 H27 Br3 Hg1.5 O2 P Pt -","- C26 H27 Br3 Hg1.5 O2 P Pt -","- C208 H216 Br24 Hg12 O16 P8 Pt8 -","8","1","","Ara, Irene; Falvello, Larry R.; Forniés, Juan; Sicilia, Violeta; Villarroya, Pablo","Reactivity of [M(C∧P)(acac-O,O‘)] [M = Pt, Pd; C∧P = CH2-C6H4-P(o-tolyl)2-κC,P; acac = 2,4-pentanedionato] toward HgX2(X = Br, I, CH3COO, CF3COO). New Polynuclear Complexes Containing Pt−Hg Bonds. Molecular Structures of [{Pt(C∧P)(acac-O,O‘)- HgBr(μ-Br)}2(μ-HgBr2)], an Unprecedented Square-Planar Bromomercurate Complex, and [{Pt(C∧P)(μ-O2CCH3)2Hg(μ3-acac2‒κC3,O)Hg(O2CCH3-κO)}· CHCl3]2, the First Complex Containing Asymmetric Dimercurated Acetylacetone","Organometallics","2000","19","16","3091","","10.1021/om000223y","","","0.71073","MoKα","","0.1058","0.0494","","0.1388","0.1157","","","","1.021","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077511","10.488","0.001","13.158","0.002","15.821","0.002","77.15","0.01","75.74","0.01","68.39","0.01","1946.2","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 Cl3 Hg2 O8 P Pt -","- C33 H36 Cl3 Hg2 O8 P Pt -","- C66 H72 Cl6 Hg4 O16 P2 Pt2 -","2","1","","Ara, Irene; Falvello, Larry R.; Forniés, Juan; Sicilia, Violeta; Villarroya, Pablo","Reactivity of [M(C∧P)(acac-O,O‘)] [M = Pt, Pd; C∧P = CH2-C6H4-P(o-tolyl)2-κC,P; acac = 2,4-pentanedionato] toward HgX2(X = Br, I, CH3COO, CF3COO). New Polynuclear Complexes Containing Pt−Hg Bonds. Molecular Structures of [{Pt(C∧P)(acac-O,O‘)- HgBr(μ-Br)}2(μ-HgBr2)], an Unprecedented Square-Planar Bromomercurate Complex, and [{Pt(C∧P)(μ-O2CCH3)2Hg(μ3-acac2‒κC3,O)Hg(O2CCH3-κO)}· CHCl3]2, the First Complex Containing Asymmetric Dimercurated Acetylacetone","Organometallics","2000","19","16","3091","","10.1021/om000223y","","","0.71073","MoKα","","0.0681","0.0425","","0.1011","0.0907","","","","1.04","1.094","1.094","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077512","8.9595","0.0002","17.7941","0.0006","12.1757","0.0004","90","","103.688","0.002","90","","1886","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H46 N2 P2 Ru -","- C42 H46 N2 P2 Ru -","- C84 H92 N4 P4 Ru2 -","2","1","","Abdur-Rashid, Kamaluddin; Lough, Alan J.; Morris, Robert H.","Ruthenium Dihydride RuH2(PPh3)2((R,R)-cyclohexyldiamine) and Ruthenium Monohydride RuHCl(PPh3)2((R,R)-cyclohexyldiamine): Active Catalyst and Catalyst Precursor for the Hydrogenation of Ketones and Imines","Organometallics","2000","19","14","2655","","10.1021/om000231e","","","0.71073","MoKα","","0.0455","0.0369","","","0.0648","0.0677","","","","","","1.041","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4077513","9.6698","0.0013","24.129","0.003","10.2718","0.0014","90","","90.724","0.002","90","","2396.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","bis[(m-1,2:5,6-di-O-isopropylidene-D-mannitolate)bis(2-propoxo)titanium(IV)]","","- C36 H68 O16 Ti2 -","- C36 H66 O16 Ti2 -","- C72 H132 O32 Ti4 -","2","1","","You, Jing-Song; Shao, Ming-Yuan; Gau, Han-Mou","Enantioselective Addition of Diethylzinc to Aldehydes Catalyzed by Titanium(IV) Complexes of Diol Derivatives ofd-Mannitol and the Spectroscopic Study of the Catalytic System","Organometallics","2000","19","17","3368","","10.1021/om000265m","","","0.71073","MoKα","","0.0776","0.048","","","0.1111","0.1236","","","","","","1.094","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077514","13.584","0.003","13.527","0.003","17.136","0.003","90","","109.18","0.03","90","","2974","1.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H42 F6 Fe P4 -","- C26 H42 F6 Fe P4 -","- C104 H168 F24 Fe4 P16 -","4","2","","Edwards, Peter G.; Whatton, Mark L.; Haigh, Robert","A New Nine-Membered Triphosphorus Macrocycle","Organometallics","2000","19","14","2652","","10.1021/om0002879","","","0.71073","MoKα","","0.0652","0.0598","","","0.1623","0.1737","","","","","","1.091","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077515","12.9208","0.0013","20.381","0.002","16.6709","0.0016","90","","104.406","0.002","90","","4252.1","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H42 Cl4 Os P2 -","- C42.5 H41 Cl4 Os P2 -","- C170 H164 Cl16 Os4 P8 -","4","1","","Wen, Ting Bin; Yang, Sheng-Yong; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak-Po; Jia, Guochen","Unexpected Formation of Osmium Carbyne and Vinylidene Complexes from the Reaction of OsCl2(PPh3)3with HC⋮CCMe3","Organometallics","2000","19","19","3757","","10.1021/om000306e","","","0.71073","MoKα","","0.054","0.0358","","","0.0848","0.0915","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077516","12.3785","0.0013","13.8032","0.0014","17.2639","0.0017","78.28","0.002","70.488","0.002","65.374","0.002","2520.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H59 Cl Os P2 -","- C54 H59 Cl Os P2 -","- C108 H118 Cl2 Os2 P4 -","2","1","","Wen, Ting Bin; Yang, Sheng-Yong; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak-Po; Jia, Guochen","Unexpected Formation of Osmium Carbyne and Vinylidene Complexes from the Reaction of OsCl2(PPh3)3with HC⋮CCMe3","Organometallics","2000","19","19","3757","","10.1021/om000306e","","","0.71073","MoKα","","0.0676","0.0466","","","0.1049","0.1163","","","","","","0.959","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077517","13.154","0.008","15.008","0.003","29.868","0.006","90","0.005","90.84","0.05","90","0.005","5896","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 F3 N5 O7 P3 Ru S2 -","- C58 H51 F3 N5 O7 P3 Ru S2 -","- C232 H204 F12 N20 O28 P12 Ru4 S8 -","4","1","","Bianchini, Claudio; Dal Santo, Vladimiro; Meli, Andrea; Oberhauser, Werner; Psaro, Rinaldo; Vizza, Francesco","Preparation, Characterization, and Performance of the Supported Hydrogen-Bonded Ruthenium Catalyst [(sulphos)Ru(NCMe)3](OSO2CF3)/SiO2. Comparisons with Analogous Homogeneous and Aqueous-Biphase Catalytic Systems in the Hydrogenation of Benzylideneacetone and Benzonitrile","Organometallics","2000","19","13","2433","","10.1021/om000309r","","","0.71069","MoKα","","0.1347","0.0683","","0.2152","0.1755","","","","1.037","1.077","1.077","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077518","12.131","0.003","12.19","0.003","15.223","0.002","95.11","0.002","105.91","0.002","116.59","0.003","1876.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 Fe N O2 P2 -","- C44 H43 Fe N O2 P2 -","- C88 H86 Fe2 N2 O4 P4 -","2","1","","Denis, Raphaël; Toupet, Loïc; Paul, Frédéric; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides Bearing a Functional Aryl Group. Synthesis and Characterization of Iron(II) and Iron(III) Complexes†","Organometallics","2000","19","21","4240","","10.1021/om000325o","","","0.71069","MoKα","","0.065","0.0381","","","0.0988","0.108","","","","","","1.036","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077519","13.806","0.002","22.282","0.002","14.392","0.001","90","","107.316","0.01","90","","4226.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 Fe P2 -","- C49 H44 Fe P2 -","- C196 H176 Fe4 P8 -","4","1","","Denis, Raphaël; Toupet, Loïc; Paul, Frédéric; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides Bearing a Functional Aryl Group. Synthesis and Characterization of Iron(II) and Iron(III) Complexes†","Organometallics","2000","19","21","4240","","10.1021/om000325o","","","0.71069","MoKα","","0.1271","0.053","","","0.1287","0.1529","","","","","","1.006","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077520","10.636","0.001","7.635","0.001","11.912","0.001","90","","111.454","0.006","90","","900.3","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 Mo2 -","- C18 H22 Cl2 Mo2 -","- C36 H44 Cl4 Mo4 -","2","0.5","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0528","0.0463","","0.1404","0.1349","","","","1.119","1.136","1.136","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077521","15.092","0.001","7.458","0.001","22.186","0.002","90","","91.248","0.008","90","","2496.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Mo -","- C13 H21 Mo -","- C104 H168 Mo8 -","8","2","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0329","0.0276","","0.0747","0.0727","","","","1.063","1.101","1.101","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077522","14.566","0.001","14.717","0.001","16.7","0.001","90","","90","","90","","3579.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F6 Mo O4 -","- C15 H15 F6 Mo O4 -","- C120 H120 F48 Mo8 O32 -","8","1","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0652","0.0416","","0.1296","0.1132","","","","1.033","1.054","1.054","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077523","8.703","0.0002","19.521","0.0003","12.441","0.0003","90","","90","","90","","2113.62","0.08","293","2","110","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C11 H15 Br0.77 Cl0.23 Mo -","- C11 H15 Br0.774 Cl0.226 Mo -","- C88 H120 Br6.192 Cl1.808 Mo8 -","8","1","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0368","0.029","","","0.0641","0.0671","","","","","","1.079","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077524","11.95","0.001","12.387","0.001","19.381","0.001","90","","90","","90","","2868.9","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H47 Al N4 Si4 -","- C16 H47 Al N4 Si4 -","- C64 H188 Al4 N16 Si16 -","4","0.5","","Uhl, Werner; Molter, Jens; Neumüller, Bernhard","tert-Butylaluminum Bis[1,2-bis(trimethylsilyl)hydrazide]: The First Alkylaluminum Dihydrazide","Organometallics","2000","19","21","4422","","10.1021/om000330s","","","0.71073","MoKα","","0.0737","0.0567","","","0.1463","0.1585","","","","","","1.161","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077525","15.387","0.002","18.193","0.002","17.997","0.002","90","","103.34","0.02","90","","4902.1","1.1","190","1","190","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 As O10 W2 -","- C20 H15 As O10 W2 -","- C160 H120 As8 O80 W16 -","8","2","","Johnson, Brian P.; Schiffer, Michael; Scheer, Manfred","Novel Approach to Intermediates Containing a Tungsten−Arsenic Triple Bond†","Organometallics","2000","19","17","3404","","10.1021/om0003436","","","0.71073","MoKα","","0.0917","0.052","","","0.1138","0.1251","","","","","","0.886","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077526","8.545","0.0017","13.506","0.003","13.253","0.003","90","","90","","90","","1529.5","0.6","210","2","210","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H15 As3 O2 W -","- C12 H15 As3 O2 W -","- C48 H60 As12 O8 W4 -","4","0.5","","Johnson, Brian P.; Schiffer, Michael; Scheer, Manfred","Novel Approach to Intermediates Containing a Tungsten−Arsenic Triple Bond†","Organometallics","2000","19","17","3404","","10.1021/om0003436","","","0.71073","MoKα","","0.0298","0.0269","","","0.0691","0.0706","","","","","","1.102","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077527","10.18","0.002","16.34","0.003","19.866","0.004","90","","97.73","0.03","90","","3274.5","1.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 As4 O6 W4 -","- C26 H30 As4 O6 W4 -","- C104 H120 As16 O24 W16 -","4","1","","Johnson, Brian P.; Schiffer, Michael; Scheer, Manfred","Novel Approach to Intermediates Containing a Tungsten−Arsenic Triple Bond†","Organometallics","2000","19","17","3404","","10.1021/om0003436","","","0.71073","MoKα","","0.055","0.0389","","","0.0945","0.1046","","","","","","0.954","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077528","17.402","0.004","14.307","0.003","18.855","0.004","90","","116.15","0.03","90","","4213.8","1.9","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H34 As4 O11 W5 -","- C35 H34 As4 O11 W5 -","- C140 H136 As16 O44 W20 -","4","1","","Johnson, Brian P.; Schiffer, Michael; Scheer, Manfred","Novel Approach to Intermediates Containing a Tungsten−Arsenic Triple Bond†","Organometallics","2000","19","17","3404","","10.1021/om0003436","","","0.71073","MoKα","","0.0573","0.0448","","","0.1213","0.1339","","","","","","1.039","","","","has coordinates,has disorder","192342","2020-10-21","18:00:00",""
"4077529","8.742","","23.683","","10.049","","90","","106.87","","90","","1990.98","","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 F3 O6 Os P2 S -","- C10 H21 F3 O6 Os P2 S -","- C40 H84 F12 O24 Os4 P8 S4 -","4","1","","Bellachioma, Gianfranco; Cardaci, Giuseppe; Macchioni, Alceo; Valentini, Francesco; Zuccaccia, Cristiano; Foresti, Elisabetta; Sabatino, Piera","Cationic Osmium(II) Acetyl Complexes Bearing Pyrazolylmethane Ligands: Intramolecular and Interionic Structure and Isolation of an Intermediate Containing the “Os−I−Ag” Moiety","Organometallics","2000","19","21","4320","","10.1021/om000344y","","","0.71069","MoKα","","0.0659","0.0405","","","0.1003","0.1069","","","","","","1.354","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077530","27.088","0.004","9.909","0.001","14.865","0.002","90","","102.82","0.02","90","","3890.5","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Mo N O5 -","- C21 H16 Mo N O5 -","- C168 H128 Mo8 N8 O40 -","8","2","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","The Mo(η-allyl)(CO)2Moiety as a Robust Marker Group in Bioorganometallic Chemistry. Unusual Crystal Structure of the Phenylalanine Derivative Mo(C5H4-CO-Phe-OMe)(η-allyl)(CO)2","Organometallics","2000","19","18","3730","","10.1021/om0003483","","","0.71073","MoKα","","0.0874","0.0606","","0.1592","0.1413","","","","0.999","1.087","1.087","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077531","20.4587","0.0017","20.4587","0.0017","12.6985","0.0015","90","","90","","90","","5315.1","0.9","160","2","160","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H156 Ca4 O12 P4 Si8 -","- C68 H124 Ca4 O8 P4 Si8 -","- C136 H248 Ca8 O16 P8 Si16 -","2","0.25","","Izod, Keith; Clegg, William; Liddle, Stephen T.","Parallels between the Chemistry of Calcium(II) and Ytterbium(II). Synthesis and Crystal Structure of a Calcium Alkoxo-Phosphide Cuboidal Complex","Organometallics","2000","19","18","3640","","10.1021/om000357b","","","0.71073","MoKα","","0.044","0.032","","","0.06","0.0626","","","","","","0.962","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077532","9.2707","0.0002","12.818","0.0002","13.9085","0.0001","112.734","0.001","94.479","0.001","110.266","0.001","1386.43","0.04","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F9 N4 O6 Pt -","- C22 H23 F9 N4 O6 Pt -","- C44 H46 F18 N8 O12 Pt2 -","2","1","","Baar, Cliff R.; Jennings, Michael C.; Vittal, Jagadese J.; Puddephatt, Richard J.","Activation of Imines by Platinum(II) To Give Aminoalkyl Complexes: Scope and Limitations of the Reaction","Organometallics","2000","19","20","4150","","10.1021/om000401n","","","0.71073","MoKα","","0.0511","0.0385","","","0.0841","0.088","","","","","","1.043","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077533","9.3415","0.0002","10.5506","0.0002","22.3484","0.0002","90","","97.89","0.001","90","","2181.77","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl3 N4 O Pt -","- C17 H22 Cl3 N4 O Pt -","- C68 H88 Cl12 N16 O4 Pt4 -","4","1","","Baar, Cliff R.; Jennings, Michael C.; Vittal, Jagadese J.; Puddephatt, Richard J.","Activation of Imines by Platinum(II) To Give Aminoalkyl Complexes: Scope and Limitations of the Reaction","Organometallics","2000","19","20","4150","","10.1021/om000401n","","","0.71073","MoKα","","0.0663","0.0422","","","0.0759","0.0831","","","","","","1.108","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077534","21.7762","0.0018","12.9791","0.0008","19.4521","0.0015","90","","115.272","0.003","90","","4971.7","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 F3 N4 O2 Pt -","- C26 H25 F3 N4 O2 Pt -","- C208 H200 F24 N32 O16 Pt8 -","8","1","","Baar, Cliff R.; Jennings, Michael C.; Vittal, Jagadese J.; Puddephatt, Richard J.","Activation of Imines by Platinum(II) To Give Aminoalkyl Complexes: Scope and Limitations of the Reaction","Organometallics","2000","19","20","4150","","10.1021/om000401n","","","0.71073","MoKα","","0.0662","0.0337","","","0.0612","0.0678","","","","","","0.964","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077535","9.0613","0.0003","21.64","0.001","11.0531","0.0005","90","","98.409","0.003","90","","2144.06","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl2 N4 O Pt -","- C18 H28 Cl2 N4 O Pt -","- C72 H112 Cl8 N16 O4 Pt4 -","4","1","","Baar, Cliff R.; Jennings, Michael C.; Vittal, Jagadese J.; Puddephatt, Richard J.","Activation of Imines by Platinum(II) To Give Aminoalkyl Complexes: Scope and Limitations of the Reaction","Organometallics","2000","19","20","4150","","10.1021/om000401n","","","0.71073","MoKα","","0.0505","0.038","","","0.093","0.1012","","","","","","1.072","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077536","7.3909","0.0006","10.357","0.0008","11.6657","0.0004","88.13","0.001","77.995","0.001","88.089","0.001","872.66","0.1","125.2","","125.2","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 Fe N2 -","- C10 H12 Fe N2 -","- C40 H48 Fe4 N8 -","4","2","","Shafir, Alexandr; Power, Maurice P.; Whitener, Glenn D.; Arnold, John","Synthesis, Structure, and Properties of 1,1‘-Diamino- and 1,1‘-Diazidoferrocene","Organometallics","2000","19","19","3978","","10.1021/om0004085","","","0.7107","MoKα","","","0.0331","","","0.0386","","","","","1.848","1.848","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077537","9.0587","0.0002","9.0587","0.0002","50.2953","0.0008","90","0.001","90","0.001","90","0.001","4127.23","0.14","161.2","","161.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Fe N6 -","- C10 H8 Fe N6 -","- C160 H128 Fe16 N96 -","16","2","","Shafir, Alexandr; Power, Maurice P.; Whitener, Glenn D.; Arnold, John","Synthesis, Structure, and Properties of 1,1‘-Diamino- and 1,1‘-Diazidoferrocene","Organometallics","2000","19","19","3978","","10.1021/om0004085","","","0.7107","MoKalpha","","","0.0354","","","0.045","","","","","1.022","1.022","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077538","23.472","0.005","11.12","0.003","20.593","0.006","90","","106.98","0.02","90","","5141","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H11 N O10 Os3 -","- C23 H11 N O10 Os3 -","- C184 H88 N8 O80 Os24 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Riera, Víctor","Approaches to Triosmium Carbonyl Cluster Compounds Derived from Benzophenone Imine. Characterization of Terminal Imino, Bridging Amido, and Orthometalated Imino Derivatives","Organometallics","2000","19","22","4643","","10.1021/om0004139","","","0.71073","MoKα","","0.065","0.053","","","0.1406","0.1489","","","","","","0.989","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077539","11.029","0.001","12.278","0.001","15.922","0.002","101.681","0.004","106.035","0.003","94.08","0.004","2010.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 N2 O9 Os3 -","- C41 H28 N2 O9 Os3 -","- C82 H56 N4 O18 Os6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Riera, Víctor","Approaches to Triosmium Carbonyl Cluster Compounds Derived from Benzophenone Imine. Characterization of Terminal Imino, Bridging Amido, and Orthometalated Imino Derivatives","Organometallics","2000","19","22","4643","","10.1021/om0004139","","","0.71073","MoKα","","0.1284","0.0505","","","0.0982","0.1147","","","","","","0.807","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077540","13","0.01","12.548","0.007","16.36","0.01","90","","108.97","0.08","90","","2524","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H11 N O10 Os3 -","- C23 H11 N O10 Os3 -","- C92 H44 N4 O40 Os12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Riera, Víctor","Approaches to Triosmium Carbonyl Cluster Compounds Derived from Benzophenone Imine. Characterization of Terminal Imino, Bridging Amido, and Orthometalated Imino Derivatives","Organometallics","2000","19","22","4643","","10.1021/om0004139","","","0.71073","MoKα","","0.0486","0.0349","","","0.0876","0.0931","","","","","","1.018","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077541","7.6496","0.0012","14.278","0.003","9.039","0.002","90","","90","","90","","987.2","0.3","153","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","bis(η^2^-ethene)(2,4-pentanedionato)rhodium(I)","","- C9 H15 O2 Rh -","- C9 H15 O2 Rh -","- C36 H60 O8 Rh4 -","4","0.5","","Bühl, Michael; Håkansson, Mikael; Mahmoudkhani, Amir H.; Öhrström, Lars","X-ray Structures and DFT Calculations on Rhodium−Olefin Complexes: Comments on the103Rh NMR Shift−Stability Correlation","Organometallics","2000","19","26","5589","","10.1021/om000419y","","","0.71073","MoKα","","0.0517","0.0253","","0.0991","0.0733","","","","0.74","0.646","0.646","","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077542","16.9179","0.0003","8.2015","0.00001","8.5513","0.0002","90","","90","","90","","1186.51","0.03","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(η^2^-ethene)(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)rhodium(I)","","- C9 H9 F6 O2 Rh -","- C9 H9 F6 O2 Rh -","- C36 H36 F24 O8 Rh4 -","4","0.5","","Bühl, Michael; Håkansson, Mikael; Mahmoudkhani, Amir H.; Öhrström, Lars","X-ray Structures and DFT Calculations on Rhodium−Olefin Complexes: Comments on the103Rh NMR Shift−Stability Correlation","Organometallics","2000","19","26","5589","","10.1021/om000419y","","","0.71073","MoKα","","0.0704","0.0421","","","0.0773","0.0882","","","","","","1.045","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077543","9.244","0.001","15.079","0.002","19.991","0.002","90","","94.377","0.008","90","","2778.4","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl P2 Ru -","- C31 H31 Cl P2 Ru -","- C124 H124 Cl4 P8 Ru4 -","4","1","","Freeman, Samuel T. N.; Lemke, Frederick R.; Haar, Christopher M.; Nolan, Steven P.; Petersen, Jeffrey L.","Effect of Ancillary Ligation on the Relative Bond Disruption Enthalpies of Ru−H and Ru−Cl Bonds in Cp(PR3)2RuX (PR3= PMe3, PMe2Ph, PMePh2, PPh3; X = H, Cl)","Organometallics","2000","19","23","4828","","10.1021/om000420x","","","0.71073","MoKα","","0.047","0.0285","","0.0641","0.0569","","","","1.039","1.078","1.078","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077544","16.106","0.001","14.22","0.001","37.378","0.004","90","","90","","90","","8560.6","1.2","295","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl P2 Ru -","- C21 H27 Cl P2 Ru -","- C336 H432 Cl16 P32 Ru16 -","16","2","","Freeman, Samuel T. N.; Lemke, Frederick R.; Haar, Christopher M.; Nolan, Steven P.; Petersen, Jeffrey L.","Effect of Ancillary Ligation on the Relative Bond Disruption Enthalpies of Ru−H and Ru−Cl Bonds in Cp(PR3)2RuX (PR3= PMe3, PMe2Ph, PMePh2, PPh3; X = H, Cl)","Organometallics","2000","19","23","4828","","10.1021/om000420x","","","0.71073","MoKα","","0.1011","0.0456","","0.0927","0.0746","","","","1.001","1.077","1.077","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077545","11.359","0.002","18.684","0.005","10.826","0.002","96.41","0.02","107.87","0.02","81.71","0.03","2158.4","0.8","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl2 Fe2 O9 Os3 Pt -","- C42 H30 Cl2 Fe2 O9 Os3 Pt -","- C84 H60 Cl4 Fe4 O18 Os6 Pt2 -","2","1","","Adams, Richard D.; Qu, Bo","New Triosmium Complexes Containing a Partially Hydrogenated Bis(ferrocenyl)butadiyne Ligand. Their Structures and Electrochemical Responses","Organometallics","2000","19","20","4090","","10.1021/om000432i","","","0.7107","MoKα","","0.0391","0.0391","","0.0545","","0.0545","","","1.181","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077546","12.4923","0.0008","20.6369","0.001","10.0889","0.0012","90","","90","","90","","2600.9","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H28 Cl2 Fe Pt S2 -","- C28 H28 Cl2 Fe Pt S2 -","- C112 H112 Cl8 Fe4 Pt4 S8 -","4","0.5","","Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.","Hang-gliding with Ferrocenes: Unusual Coordination Chemistry of 1,1‘-Bis(mesitylthio)ferrocene","Organometallics","2000","19","21","4425","","10.1021/om0004388","","","1.54178","CuKα","","0.0422","0.0328","","0.0789","0.0734","","","","1.064","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077547","15.518","0.002","23.182","0.004","10.2274","0.0015","90","","90","","90","","3679.2","1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H30 Br2 Fe O6 Re2 S2 -","- C34 H30 Br2 Fe O6 Re2 S2 -","- C136 H120 Br8 Fe4 O24 Re8 S8 -","4","0.5","","Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.","Hang-gliding with Ferrocenes: Unusual Coordination Chemistry of 1,1‘-Bis(mesitylthio)ferrocene","Organometallics","2000","19","21","4425","","10.1021/om0004388","","","0.71073","MoKα","","0.1096","0.0489","","0.1375","0.0717","","","","1.012","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077548","12.1874","0.0005","15.6037","0.0007","14.5968","0.0006","90","","94.317","0.001","90","","2768","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 N3 Si2 W -","- C27 H39 N3 Si2 W -","- C108 H156 N12 Si8 W4 -","4","1","","Mills, R. C.; Abboud, K. A.; Boncella, J. M.","Synthesis of d2Tungsten Arene Complexes and Their Reaction with Diphenylacetylene","Organometallics","2000","19","16","2953","","10.1021/om0004390","","","0.71073","MoKα","","0.0798","0.0371","","","0.0553","0.0642","","","","","","0.961","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077549","18.4684","0.0008","20.4038","0.0009","20.9892","0.0009","90","","109.78","0.001","90","","7442.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N3 Si2 W -","- C40 H45 N3 Si2 W -","- C320 H360 N24 Si16 W8 -","8","2","","Mills, R. C.; Abboud, K. A.; Boncella, J. M.","Synthesis of d2Tungsten Arene Complexes and Their Reaction with Diphenylacetylene","Organometallics","2000","19","16","2953","","10.1021/om0004390","","","0.71073","MoKα","","0.0548","0.0328","","","0.0619","0.0708","","","","","","1.074","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077550","12.6683","0.0006","13.2799","0.0006","18.9746","0.0009","99.488","0.001","91.418","0.001","117.656","0.001","2770","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H41 B2 F24 N7 Pt -","- C50 H41 B2 F27 N7 Pt -","- C100 H82 B4 F54 N14 Pt2 -","2","1","","Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents","Organometallics","2000","19","19","3854","","10.1021/om000440z","","","0.71073","MolybdenumKα","","0.031","0.031","","0.038","0.038","","","","","1.31","1.31","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077551","12.8583","0.0006","12.9407","0.0006","18.6034","0.0008","76.164","0.001","86.584","0.001","75.713","0.001","2912.7","0.2","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 B2 F24 N6 O2 Pt -","- C53 H46 B2 F24 N6 O2 Pt -","- C106 H92 B4 F48 N12 O4 Pt2 -","2","1","","Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents","Organometallics","2000","19","19","3854","","10.1021/om000440z","","","0.71073","MolybdenumKα","","0.068","0.046","","0.052","0.05","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077552","14.3058","0.0007","14.8057","0.0007","16.2241","0.0007","89.352","0.001","69.624","0.001","87.03","0.001","3217","0.3","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H50 B2 Cl2 F24 N6 P Pt -","- C57 H50 B2 Cl2 F24 N6 P Pt -","- C114 H100 B4 Cl4 F48 N12 P2 Pt2 -","2","1","","Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents","Organometallics","2000","19","19","3854","","10.1021/om000440z","","","0.71073","MolybdenumKα","","0.042","0.034","","0.044","0.043","","","","","1.51","1.51","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077553","13.0249","0.0005","13.1185","0.0005","18.1205","0.0006","75.995","0.001","89.703","0.001","68.347","0.001","2780","0.18","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 B2 F24 N6 Pt -","- C50 H42 B2 F24 N6 Pt -","- C100 H84 B4 F48 N12 Pt2 -","2","1","","Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents","Organometallics","2000","19","19","3854","","10.1021/om000440z","","","0.71073","MolybdenumKα","","0.047","0.035","","0.041","0.04","","","","","1.92","1.92","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077554","13.0098","0.0007","27.2034","0.0014","19.7507","0.001","90","","93.723","0.001","90","","6975.2","0.6","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 B2 F24 N6 P2 Pt -","- C64 H60 B2 F30 N6 P2 Pt -","- C256 H240 B8 F120 N24 P8 Pt4 -","4","1","","Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents","Organometallics","2000","19","19","3854","","10.1021/om000440z","","","0.71073","MolybdenumKα","","0.048","0.038","","0.044","0.043","","","","","3.18","3.18","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077555","16.2303","0.0004","8.5099","0.0002","17.1741","0.0004","90","","111.752","0.001","90","","2203.16","0.09","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 B N6 Pt S -","- C18 H31 B N6 Pt S -","- C72 H124 B4 N24 Pt4 S4 -","4","1","","Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents","Organometallics","2000","19","19","3854","","10.1021/om000440z","","","0.71073","MolybdenumKα","","0.032","0.028","","0.042","0.041","","","","","1.96","1.96","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077556","17.0866","0.0016","11.4896","0.0011","18.9224","0.0018","90","","114.909","0.002","90","","3369.3","0.6","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H52 N2 Na O1.5 P Si2 -","- C29 H52 N2 Na O1.504 P Si2 -","- C116 H208 N8 Na4 O6.016 P4 Si8 -","4","1","","Hill, M. N. Stuart; Izod, Keith; O'Shaughness, Paul; Clegg, William","Synthesis, Structures, and Solution Dynamics of Functionalized Phosphinomethanide Complexes of the Alkali Metals","Organometallics","2000","19","22","4531","","10.1021/om000447g","","","0.71073","MoKα","","0.1016","0.0493","","","0.1047","0.1218","","","","","","0.922","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077557","11.812","0.003","18.296","0.004","7.486","0.001","90","","90","","90","","1617.8","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl N Zr -","- C16 H22 Cl N Zr -","- C64 H88 Cl4 N4 Zr4 -","4","1","","Armstrong, David R.; Henderson, Kenneth W.; Little, Ian; Jenny, Charles; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.","Zirconocene Ketimides: Synthesis, Structural Characterization, Ethylene Polymerization Activity, and ab Initio Computational Studies","Organometallics","2000","19","21","4369","","10.1021/om000451s","","","0.7107","MoKalpha","","0.0378","0.0242","","0.0342","0.0317","","","","","1.137","1.137","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077558","11.2828","0.0016","25.283","0.003","17.109","0.003","90","","93.175","0.019","90","","4873.1","1.2","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 B11 Cl4 N3 Pt Sn -","- C38 H60 B11 Cl4 N3 Pt Sn -","- C152 H240 B44 Cl16 N12 Pt4 Sn4 -","4","1","","Marx, Thiemo; Wesemann, Lars; Dehnen, Stefanie","A Zwitterionic Transition-Metal Complex: Platinum−closo-Borate Coordination Synthesis, Structure, and DFT Calculations","Organometallics","2000","19","22","4653","","10.1021/om000456p","","","0.71073","MoKα","","0.0637","0.0449","","","0.1068","0.1132","","","","","","0.986","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077559","16.3551","0.0001","10.9925","0.0001","17.7108","0.0001","90","","97.35","","90","","3157.95","0.04","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O2 Os P2 -","- C38 H30 O2 Os P2 -","- C152 H120 O8 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0251","0.0222","","","0.0545","0.0565","","","","","","1.06","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077560","10.3198","0.0002","26.6368","0.0004","18.1347","0.0001","90","","102.171","0.001","90","","4872.93","0.12","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonyl(p-tolylisocyanide)bis(catecolborate)bis(triphenylphosphine)osmium(II)","","- C57 H45 B2 N O5 Os P2 -","- C57 H45 B2 N O5 Os P2 -","- C228 H180 B8 N4 O20 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0869","0.0481","","","0.0698","0.0836","","","","","","1.096","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077561","13.7644","0.0003","19.0556","0.0004","18.7402","0.0003","90","","94.342","0.001","90","","4901.24","0.17","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(carbonyl)bis(catecolborate)bis(triphenylphosphine)ruthenium(II) Toluene solvate","","- C57 H46 B2 O6 P2 Ru -","- C57 H46 B2 O6 P2 Ru -","- C228 H184 B8 O24 P8 Ru4 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0693","0.04","","","0.0926","0.1104","","","","","","0.949","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077562","10.3153","0.0003","26.6868","0.0009","18.1026","0.0005","90","","102.177","0.001","90","","4871.2","0.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonyl(p-tolylisocyanide)bis(catecolborate)bis(triphenylphosphine)ruthenium(II)","","- C57 H45 B2 N O5 P2 Ru -","- C57 H45 B2 N O5 P2 Ru -","- C228 H180 B8 N4 O20 P8 Ru4 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0737","0.0416","","","0.0678","0.0788","","","","","","1.072","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077563","12.0712","0.0001","17.2622","0.0001","34.6301","0.0001","90","","90","","90","","7216.06","0.08","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H30 Cl4 O2 Os P2 -","- C40 H30 Cl4 O2 Os P2 -","- C320 H240 Cl32 O16 Os8 P16 -","8","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0468","0.0434","","","0.0902","0.0914","","","","","","1.393","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077564","17.5028","0.0002","13.2932","0.0001","19.4297","0.0002","90","","109.013","0.001","90","","4274.05","0.08","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Iodobis(carbonyl)(catecolborate)bis(triphenylphosphine)osmium(II)","","- C45 H36 B Cl2 I O4 Os P2 -","- C45 H36 B Cl2 I O4 Os P2 -","- C180 H144 B4 Cl8 I4 O16 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0228","0.0207","","","0.054","0.0553","","","","","","1.104","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077565","11.2964","0.0001","11.906","0.0001","31.3608","0.0003","90","","90","","90","","4217.87","0.07","203","2","203","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Iodobis(carbonyl)(catecolborate)bis(triphenylphosphine)osmium(II) Dichloromethane solvate","","- C45 H36 B Cl2 I O4 Os P2 -","- C45 H36 B Cl2 I O4 Os P2 -","- C180 H144 B4 Cl8 I4 O16 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0276","0.0249","","","0.0547","0.056","","","","","","1.015","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077566","13.4032","0.0013","9.9449","0.0013","18.9743","0.0019","90","","99.895","0.012","90","","2491.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 F6 P2 Rh -","- C22 H37 F6 P2 Rh -","- C88 H148 F24 P8 Rh4 -","4","1","","Werner, Helmut; Canepa, Giuseppe; Ilg, Kerstin; Wolf, Justin","Half-Sandwich Type Rhodium(I) Complexes with Arenes and Functionalized Arenes C6H5X(CH2)nPR2(R =iPr,tBu) as Nonchelating and Chelating Ligands","Organometallics","2000","19","23","4756","","10.1021/om0004646","","","0.71073","MoKα","","0.0465","0.0386","","","0.101","0.1052","","","","","","1.015","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077567","13.4365","0.0016","9.7565","0.0008","20.086","0.002","90","","104.023","0.014","90","","2554.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 F6 P2 Rh -","- C23 H39 F6 P2 Rh -","- C92 H156 F24 P8 Rh4 -","4","1","","Werner, Helmut; Canepa, Giuseppe; Ilg, Kerstin; Wolf, Justin","Half-Sandwich Type Rhodium(I) Complexes with Arenes and Functionalized Arenes C6H5X(CH2)nPR2(R =iPr,tBu) as Nonchelating and Chelating Ligands","Organometallics","2000","19","23","4756","","10.1021/om0004646","","","0.71073","MoKα","","0.0535","0.0413","","","0.1046","0.1105","","","","","","1.01","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077568","8.7487","0.0017","17.578","0.004","13.27","0.003","90","","92.91","0.03","90","","2038.1","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 F6 P2 Rh -","- C17 H29 F6.006 P2 Rh -","- C68 H116 F24.024 P8 Rh4 -","4","1","","Werner, Helmut; Canepa, Giuseppe; Ilg, Kerstin; Wolf, Justin","Half-Sandwich Type Rhodium(I) Complexes with Arenes and Functionalized Arenes C6H5X(CH2)nPR2(R =iPr,tBu) as Nonchelating and Chelating Ligands","Organometallics","2000","19","23","4756","","10.1021/om0004646","","","0.71073","MoKα","","0.0761","0.0484","","","0.1027","0.1207","","","","","","0.997","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077569","18.1505","0.0009","14.6079","0.0007","21.074","0.001","90","","101.339","0.001","90","","5478.5","0.5","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H27 B F24 Mn O7 P -","- C49 H27 B F24 Mn O7 P -","- C196 H108 B4 F96 Mn4 O28 P4 -","4","1","","Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.","Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites","Organometallics","2000","19","20","4141","","10.1021/om0004693","","","0.71073","MoKα","","0.0826","0.0602","","","0.1761","0.1948","","","","","","1.092","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077570","12.9841","0.0009","14.2024","0.001","16.3209","0.0012","91.325","0.001","98.447","0.001","102.836","0.002","2897.8","0.4","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40 B F24 O10 P2 Re -","- C49 H40 B F24 O10 P2 Re -","- C98 H80 B2 F48 O20 P4 Re2 -","2","1","","Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.","Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites","Organometallics","2000","19","20","4141","","10.1021/om0004693","","","0.71073","MoKα","","0.0943","0.0644","","","0.1152","0.1246","","","","","","1.275","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077571","19.707","0.001","16.5848","0.0008","18.5384","0.001","90","","94.6","0.001","90","","6039.5","0.5","203","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H31 B F24 O14 P2 Re2 -","- C50 H31 B F24 O14 P2 Re2 -","- C200 H124 B4 F96 O56 P8 Re8 -","4","0.5","","Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.","Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites","Organometallics","2000","19","20","4141","","10.1021/om0004693","","","0.71073","MoKα","","0.0308","0.0277","","","0.0811","0.0834","","","","","","1.408","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077572","8.335","0.001","11.94","0.001","11.324","0.003","90","","110.43","0.01","90","","1056.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","N',N'-Dimethylhydrazono-1-(1,3-dithiolane-2-yliden)propanone","","- C8 H12 N2 O S2 -","- C8 H12 N2 O S2 -","- C32 H48 N8 O4 S8 -","4","1","","Ortega-Jiménez, Fernando; Ortega-Alfaro, M. Carmen; López-Cortés, José G.; Gutiérrez-Pérez, René; Toscano, Rubén A.; Velasco-Ibarra, Luis; Peña-Cabrera, Eduardo; Alvarez-Toledano, Cecilio","Synthesis and Characterization of Novel Iron(0) Complexes Derived from α,β-Unsaturated-Ketone Analogues with β-Positioned Heteroatoms Containing Covalent and Coordination Bonds","Organometallics","2000","19","20","4127","","10.1021/om0004702","","","0.71073","MoKα","","0.0745","0.0491","","","0.1183","0.1346","","","","","","1.04","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077573","7.416","0.002","10.182","0.003","11.486","0.004","75.62","0.02","87.7","0.02","80.13","0.02","827.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 5","Tricarbonyl-η^4^-[4-phenyl-1-(1,3-dithiolane-2-yliden)-3(E)-butenone]iron(0)","","- C16 H12 Fe O4 S2 -","- C16 H12 Fe O4 S2 -","- C32 H24 Fe2 O8 S4 -","2","1","","Ortega-Jiménez, Fernando; Ortega-Alfaro, M. Carmen; López-Cortés, José G.; Gutiérrez-Pérez, René; Toscano, Rubén A.; Velasco-Ibarra, Luis; Peña-Cabrera, Eduardo; Alvarez-Toledano, Cecilio","Synthesis and Characterization of Novel Iron(0) Complexes Derived from α,β-Unsaturated-Ketone Analogues with β-Positioned Heteroatoms Containing Covalent and Coordination Bonds","Organometallics","2000","19","20","4127","","10.1021/om0004702","","","0.71073","MoKα","","0.0568","0.041","","","0.1001","0.1055","","","","","","0.923","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077574","8.411","0.001","17.236","0.002","14.038","0.003","90","","101.05","0.02","90","","1997.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 6","Pentacarbonyl-μS,μC,σO,σS-[4-phenyl-1-(2-sulfanylethylthio)-3(E)-butenone] diiron(0)","","- C18 H12 Fe2 O6 S2 -","- C18 H12 Fe2 O6 S2 -","- C72 H48 Fe8 O24 S8 -","4","1","","Ortega-Jiménez, Fernando; Ortega-Alfaro, M. Carmen; López-Cortés, José G.; Gutiérrez-Pérez, René; Toscano, Rubén A.; Velasco-Ibarra, Luis; Peña-Cabrera, Eduardo; Alvarez-Toledano, Cecilio","Synthesis and Characterization of Novel Iron(0) Complexes Derived from α,β-Unsaturated-Ketone Analogues with β-Positioned Heteroatoms Containing Covalent and Coordination Bonds","Organometallics","2000","19","20","4127","","10.1021/om0004702","","","0.71073","MoKα","","0.0798","0.0443","","","0.1092","0.1254","","","","","","1.063","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077575","7.467","0.002","10.255","0.002","12.199","0.003","82.16","0.02","73.35","0.03","82.55","0.02","882.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Compound 8","Tetracarbonyl-η^2^-[4-(2-Pyridyl)-1-(1,3-dithiolane-2-yliden)-3(E)- butenone]iron(0)","","- C16 H11 Fe N O5 S2 -","- C16 H11 Fe N O5 S2 -","- C32 H22 Fe2 N2 O10 S4 -","2","1","","Ortega-Jiménez, Fernando; Ortega-Alfaro, M. Carmen; López-Cortés, José G.; Gutiérrez-Pérez, René; Toscano, Rubén A.; Velasco-Ibarra, Luis; Peña-Cabrera, Eduardo; Alvarez-Toledano, Cecilio","Synthesis and Characterization of Novel Iron(0) Complexes Derived from α,β-Unsaturated-Ketone Analogues with β-Positioned Heteroatoms Containing Covalent and Coordination Bonds","Organometallics","2000","19","20","4127","","10.1021/om0004702","","","0.71073","MoKα","","0.0777","0.0531","","","0.1536","0.2018","","","","","","1.087","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077576","16.072","0.006","9.68","0.002","13.174","0.003","90","","107","0.02","90","","1960","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 9","Hexacarbonyl-μN,σO,σC-[N',N'-Dimethylhydrazono-1-(1,3-dithiolane-2-yliden) propanone]diiron(0)","","- C14 H12 Fe2 N2 O7 S2 -","- C14 H12 Fe2 N2 O7 S2 -","- C56 H48 Fe8 N8 O28 S8 -","4","1","","Ortega-Jiménez, Fernando; Ortega-Alfaro, M. Carmen; López-Cortés, José G.; Gutiérrez-Pérez, René; Toscano, Rubén A.; Velasco-Ibarra, Luis; Peña-Cabrera, Eduardo; Alvarez-Toledano, Cecilio","Synthesis and Characterization of Novel Iron(0) Complexes Derived from α,β-Unsaturated-Ketone Analogues with β-Positioned Heteroatoms Containing Covalent and Coordination Bonds","Organometallics","2000","19","20","4127","","10.1021/om0004702","","","0.71073","MoKα","","0.1191","0.0618","","","0.153","0.1868","","","","","","1.05","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077577","10.8302","0.0016","14.743","0.002","16.083","0.002","81.856","0.002","80.155","0.002","68.65","0.002","2347.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H41 N P2 Pt -","- C61 H41 N P2 Pt -","- C122 H82 N2 P4 Pt2 -","2","1","","Bosch, Eric; Barnes, Charles L.","Synthesis and Crystallographic Characterization of a Novel Platinocycle","Organometallics","2000","19","25","5522","","10.1021/om0004904","","","0.7107","MoKα","","0.0341","0.0276","","","0.0788","0.0852","","","","","","0.691","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077578","44.482","0.004","12.8","0.001","26.56","0.002","90","","125.204","0.001","90","","12356.6","1.7","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H152 Cl11 K4 N20 Nb6 O6 -","- C100 H152 Cl11 K4 N20 Nb6 O6 -","- C400 H608 Cl44 K16 N80 Nb24 O24 -","4","0.5","","Tayebani, Maryam; Conoci, Sabrina; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn P. A.","Tri- and Tetravalent and Mixed-Valence Niobium Complexes Supported by a Tripodal Tripyrrolylmethane Trianion","Organometallics","2000","19","22","4568","","10.1021/om000501t","","","0.71073","MoKα","","0.1389","0.0873","","","0.2237","0.2512","","","","","","1.084","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077579","12.688","0.002","12.908","0.002","12.607","0.002","90","","110.511","0.003","90","","1933.8","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N6 Nb2 O4 -","- C42 H52 N6 Nb2 O4 -","- C84 H104 N12 Nb4 O8 -","2","0.5","","Tayebani, Maryam; Conoci, Sabrina; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn P. A.","Tri- and Tetravalent and Mixed-Valence Niobium Complexes Supported by a Tripodal Tripyrrolylmethane Trianion","Organometallics","2000","19","22","4568","","10.1021/om000501t","","","0.71073","MoKα","","0.1174","0.0609","","","0.1203","0.135","","","","","","1.02","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077580","10.562","0.002","12.247","0.003","12.799","0.003","117.166","0.003","90.288","0.004","96.559","0.004","1460.2","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 Li2 N6 Nb O8 -","- C58 H84 Li2 N6 Nb O8 -","- C58 H84 Li2 N6 Nb O8 -","1","0.5","","Tayebani, Maryam; Conoci, Sabrina; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn P. A.","Tri- and Tetravalent and Mixed-Valence Niobium Complexes Supported by a Tripodal Tripyrrolylmethane Trianion","Organometallics","2000","19","22","4568","","10.1021/om000501t","","","0.71073","MoKα","","0.1027","0.0709","","","0.1612","0.1748","","","","","","1.03","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077581","20.8592","0.0012","10.3433","0.0006","28.1509","0.0015","90","","90","","90","","6073.6","0.6","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H23 Fe2 O6 P -","- C35 H23 Fe2 O6 P -","- C280 H184 Fe16 O48 P8 -","8","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Clegg, William; Elsegood, Mark R. J.","Reactions of Alkynes with [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of Diphenylvinylphosphine-Functionalized Vinyl Carbenes via Carbon−Carbon and Carbon−Phosphorus Bond Formation and Hydrogen Migration⊥","Organometallics","2000","19","22","4557","","10.1021/om0005147","","","0.71073","MoKα","","0.0693","0.0415","","","0.074","0.0833","","","","","","1.046","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077582","12.5509","0.0006","15.3144","0.0008","15.9483","0.0008","109.143","0.002","99.88","0.002","104.577","0.002","2692.3","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Fe2 O6 P -","- C30 H21 Fe2 O6 P -","- C120 H84 Fe8 O24 P4 -","4","2","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Clegg, William; Elsegood, Mark R. J.","Reactions of Alkynes with [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of Diphenylvinylphosphine-Functionalized Vinyl Carbenes via Carbon−Carbon and Carbon−Phosphorus Bond Formation and Hydrogen Migration⊥","Organometallics","2000","19","22","4557","","10.1021/om0005147","","","0.71073","MoKα","","0.0405","0.0302","","","0.0721","0.0736","","","","","","0.984","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077583","15.3078","0.0019","9.56","0.0012","21.656","0.003","90","","91.133","0.003","90","","3168.6","0.7","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Fe2 O6 P -","- C37 H25 Fe2 O6 P -","- C148 H100 Fe8 O24 P4 -","4","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Clegg, William; Elsegood, Mark R. J.","Reactions of Alkynes with [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of Diphenylvinylphosphine-Functionalized Vinyl Carbenes via Carbon−Carbon and Carbon−Phosphorus Bond Formation and Hydrogen Migration⊥","Organometallics","2000","19","22","4557","","10.1021/om0005147","","","0.689","synchrotron","","0.09","0.0526","","","0.1161","0.122","","","","","","0.89","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077584","14.1961","0.0013","16.1407","0.0015","17.4693","0.0017","90","","93.745","0.002","90","","3994.3","0.7","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 B10 Na2 O4 -","- C32 H56 B10 Na2 O4 -","- C128 H224 B40 Na8 O16 -","4","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.2361","0.0665","","","0.1887","0.2587","","","","","","0.795","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077585","25.86","0.005","10.35","0.002","26.976","0.005","90","","110.3","0.03","90","","6772","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 B10 K2 O3 -","- C26 H44 B10 K2 O3 -","- C208 H352 B80 K16 O24 -","8","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.0902","0.0837","","","0.2253","0.2337","","","","","","1.077","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4077586","19.117","0.004","10.776","0.002","24.694","0.005","90","","95.19","0.03","90","","5066.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H72 B10 K2 O12 -","- C40 H72 B10 K2 O12 -","- C160 H288 B40 K8 O48 -","4","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.1169","0.0997","","","0.2561","0.2758","","","","","","1.132","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077587","23.7934","0.0015","10.368","0.0006","18.3065","0.0011","90","","90","","90","","4516","0.5","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C36 H65 B10 K O8 -","- C36 H49 B10 K O8 -","- C144 H196 B40 K4 O32 -","4","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.1759","0.0613","","","0.1425","0.1868","","","","","","0.856","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077588","21.524","0.002","11.0456","0.0011","16.746","0.0017","90","","90","","90","","3981.3","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H55 B10 K O7 -","- C32 H53 B10 K O7 -","- C128 H212 B40 K4 O28 -","4","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.1151","0.0564","","","0.1283","0.1534","","","","","","0.84","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077589","8.866","0.003","8.874","0.003","28.597","0.005","89.08","0.02","89.35","0.02","60.67","0.02","1961.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 Cl2 N Si3 -","- C13 H25 Cl2 N Si3 -","- C52 H100 Cl8 N4 Si12 -","4","2","","van den Ancker, Tania R.; Raston, Colin L.; Skelton, Brian W.; White, Allan H.","Hypervalent Silicon via Intramolecular Coordination in a Four-Membered Ring in Complexes of Substituted Pyridyl Ligands","Organometallics","2000","19","22","4437","","10.1021/om0005497","","","0.71073","MoKα","","0.079","0.042","","0.047","","0.04","","","1.372","","","1.579","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077590","19.155","0.007","9.868","0.001","12.412","0.012","90","","100.49","0.06","90","","2307","2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 Cl N2 Si3 -","- C19 H31 Cl N2 Si3 -","- C76 H124 Cl4 N8 Si12 -","4","0.5","","van den Ancker, Tania R.; Raston, Colin L.; Skelton, Brian W.; White, Allan H.","Hypervalent Silicon via Intramolecular Coordination in a Four-Membered Ring in Complexes of Substituted Pyridyl Ligands","Organometallics","2000","19","22","4437","","10.1021/om0005497","","","0.71073","MoKα","","0.065","0.046","","0.052","","0.049","","","1.905","","","2.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077591","19.131","0.007","9.883","0.003","12.444","0.008","90","","99.97","0.04","90","","2317.3","1.9","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 Si3 -","- C20 H34 N2 Si3 -","- C80 H136 N8 Si12 -","4","0.5","","van den Ancker, Tania R.; Raston, Colin L.; Skelton, Brian W.; White, Allan H.","Hypervalent Silicon via Intramolecular Coordination in a Four-Membered Ring in Complexes of Substituted Pyridyl Ligands","Organometallics","2000","19","22","4437","","10.1021/om0005497","","","0.71073","MoKα","","0.072","0.047","","0.053","","0.05","","","1.756","","","2.052","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077592","19.668","0.008","9.327","0.008","20.967","0.009","90","","106.42","0.03","90","","3689","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H25 N O10 Ru3 -","- C39 H25 N O10 Ru3 -","- C156 H100 N4 O40 Ru12 -","4","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.0847","0.0657","","","0.172","0.1934","","","","","","0.955","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077593","10.106","0.004","14.643","0.009","18.88","0.009","90","","90","","90","","2794","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H17 N O9 Ru3 -","- C28 H17 N O9 Ru3 -","- C112 H68 N4 O36 Ru12 -","4","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.0428","0.0367","","","0.093","0.0985","","","","","","1.369","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077594","15.759","0.009","10.818","0.006","20.824","0.009","90","","107.92","0.06","90","","3378","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H21 N O8 Ru3 -","- C37 H21 N O8 Ru3 -","- C148 H84 N4 O32 Ru12 -","4","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.0763","0.0304","","","0.0754","0.0928","","","","","","0.929","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077595","12.445","0.003","13.029","0.004","13.946","0.005","76.2","0.03","72.28","0.02","87.23","0.02","2091.1","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H21 Cl0.3 N O9 Ru3 -","- C38 H21 Cl0.3 N O9 Ru3 -","- C76 H42 Cl0.6 N2 O18 Ru6 -","2","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.1181","0.0538","","","0.1376","0.1672","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077596","9.746","0.004","9.576","0.004","37.366","0.009","90","","92.98","0.02","90","","3483","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 I N2 O4 P Rh -","- C37 H39 I N2 O3 P Rh -","- C148 H156 I4 N8 O12 P4 Rh4 -","4","1","","Pelagatti, Paolo; Bacchi, Alessia; Bobbio, Carla; Carcelli, Mauro; Costa, Mirco; Pelizzi, Corrado; Vivorio, Cristiano","Synthesis, Characterization, and Reactivity toward MeI of Carbonyl Rh(I) Complexes Containing a PNO Hydrazonic Ligand","Organometallics","2000","19","25","5440","","10.1021/om000562r","","","0.71069","MoKα","","0.1147","0.0491","","","0.1523","0.1893","","","","","","0.896","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077597","14.051","0.005","10.477","0.005","9.667","0.005","106.75","0.005","98.44","0.005","102.95","0.005","1293.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H23.5 N2 O2 P Rh -","- C30.5 H23.5 N2 O2 P Rh -","- C61 H47 N4 O4 P2 Rh2 -","2","1","","Pelagatti, Paolo; Bacchi, Alessia; Bobbio, Carla; Carcelli, Mauro; Costa, Mirco; Pelizzi, Corrado; Vivorio, Cristiano","Synthesis, Characterization, and Reactivity toward MeI of Carbonyl Rh(I) Complexes Containing a PNO Hydrazonic Ligand","Organometallics","2000","19","25","5440","","10.1021/om000562r","","","0.71069","MoKα","","0.1615","0.0798","","","0.2283","0.2648","","","","","","0.939","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077598","13.85","0.002","17.849","0.001","10.7815","0.0008","90","","94.392","0.007","90","","2657.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H45 B2 P Ru2 -","- C23 H45 B2 P Ru2 -","- C92 H180 B8 P4 Ru8 -","4","1","","Pangan, Lourdes N.; Kawano, Yasuro; Shimoi, Mamoru","Syntheses and Structures of New Diruthenatetraborane Complexes Exhibiting Novel Modes of Coordination for a B2H5Fragment: Phosphine-Complexed [(Cp*Ru)2(μ-H)(∥-μ-η4-B2H5)(PR3)] (PR3= PMe3, PMe2Ph) and Phosphido-Bridgednido-[(Cp*Ru)2(μ-PMe2)(⊥-μ-η4-B2H5)]1","Organometallics","2000","19","26","5575","","10.1021/om000568g","","","0.71069","MoKα","","0.0425","0.0403","","0.0935","0.092","","","","1.025","1.027","1.027","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077599","18.854","0.002","15.238","0.003","17.855","0.003","90","","101.265","0.014","90","","5030.9","1.4","268","","293","2","","","","","","","[{(Cp*Ru)2(mu-H)(PMe2Ph)(B2H5)]","5","C 1 2/c 1","-C 2yc","15","","(mu-hapto4-pentahydrodiboranyl)(mu-dimethylphosphido) bis(pentamethylcyclopentadienylruthenium)","","- C22 H41 B2 P Ru2 -","- C22 H41 B2 P Ru2 -","- C176 H328 B16 P8 Ru16 -","8","1","","Pangan, Lourdes N.; Kawano, Yasuro; Shimoi, Mamoru","Syntheses and Structures of New Diruthenatetraborane Complexes Exhibiting Novel Modes of Coordination for a B2H5Fragment: Phosphine-Complexed [(Cp*Ru)2(μ-H)(∥-μ-η4-B2H5)(PR3)] (PR3= PMe3, PMe2Ph) and Phosphido-Bridgednido-[(Cp*Ru)2(μ-PMe2)(⊥-μ-η4-B2H5)]1","Organometallics","2000","19","26","5575","","10.1021/om000568g","","","0.71069","MoKα","","0.0531","0.0518","","0.1666","0.1628","","","","0.237","0.233","0.233","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077600","21.415","0.005","11.9136","0.0018","17.77","0.003","90","","90","","90","","4533.7","1.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H64 N6 O Si2 Ti -","- C41 H56 N6 O Si2 Ti -","- C164 H224 N24 O4 Si8 Ti4 -","4","1","","Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.","C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides","Organometallics","2000","19","23","4784","","10.1021/om0005710","","","0.71073","MoKα","","0.1681","0.0744","","","0.1486","0.1843","","","","","","0.97","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077601","10.0312","0.0018","11.4608","0.0014","15.465","0.002","94.333","0.008","108.378","0.013","111.976","0.011","1526.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N7 Si2 Ti -","- C25 H47 N7 Si2 Ti -","- C50 H94 N14 Si4 Ti2 -","2","1","","Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.","C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides","Organometallics","2000","19","23","4784","","10.1021/om0005710","","","0.71073","MoKα","","0.0723","0.0436","","","0.0921","0.1083","","","","","","1.033","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077602","20.955","0.003","12.4835","0.0019","39.685","0.005","90","","102.34","0.01","90","","10141","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H69 N7 Si2 Ti -","- C51 H69 N7 Si2 Ti -","- C408 H552 N56 Si16 Ti8 -","8","1","","Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.","C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides","Organometallics","2000","19","23","4784","","10.1021/om0005710","","","0.71073","MoKα","","0.1484","0.0714","","","0.1461","0.1709","","","","","","0.972","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077603","12.684","0.002","13.8756","0.0019","17.077","0.002","74.318","0.009","70.409","0.013","65.003","0.015","2537","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H71 N7 Si2 Ti -","- C52 H71 N7 Si2 Ti -","- C104 H142 N14 Si4 Ti2 -","2","1","","Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.","C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides","Organometallics","2000","19","23","4784","","10.1021/om0005710","","","0.71073","MoKα","","0.1179","0.0691","","","0.1651","0.1829","","","","","","1.047","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077604","20.865","0.005","12.6101","0.0013","39.31","0.007","90","","102.547","0.011","90","","10096","3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H73 N7 Si2 Ti -","- C50 H73 N7 Si2 Ti -","- C400 H584 N56 Si16 Ti8 -","8","1","","Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.","C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides","Organometallics","2000","19","23","4784","","10.1021/om0005710","","","0.71073","MoKα","","0.1142","0.0529","","","0.1077","0.1329","","","","","","0.953","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077605","9.119","0.001","9.919","0.001","13.029","0.002","95.601","0.002","98.379","0.002","101.148","0.002","1134.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H9 Al2 F15 -","- C21 H9 Al2 F15 -","- C42 H18 Al4 F30 -","2","1","","Klosin, Jerzy; Roof, Gordon R.; Chen, Eugene Y.-X.; Abboud, Khalil A.","Ligand Exchange and Alkyl Abstraction Involving (Perfluoroaryl)boranes and -alanes with Aluminum and Gallium Alkyls","Organometallics","2000","19","23","4684","","10.1021/om000573k","","","0.71073","MoKα","","0.0627","0.0356","","","0.0704","0.0733","","","","","","1.038","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077606","25.908","0.001","15.6457","0.0009","26.146","0.001","90","","115.234","0.001","90","","9586.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H29 Al B F27 O2 -","- C47 H29 Al B F27 O2 -","- C376 H232 Al8 B8 F216 O16 -","8","2","","Klosin, Jerzy; Roof, Gordon R.; Chen, Eugene Y.-X.; Abboud, Khalil A.","Ligand Exchange and Alkyl Abstraction Involving (Perfluoroaryl)boranes and -alanes with Aluminum and Gallium Alkyls","Organometallics","2000","19","23","4684","","10.1021/om000573k","","","0.71073","MoKα","","0.1657","0.0553","","","0.096","0.1165","","","","","","0.887","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077607","9.7495","0.0006","10.9672","0.0007","14.6076","0.0009","85.155","0.001","87.556","0.001","72.055","0.001","1480.39","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 B F15 Ga N2 -","- C27 H25 B F15 Ga N2 -","- C54 H50 B2 F30 Ga2 N4 -","2","1","","Klosin, Jerzy; Roof, Gordon R.; Chen, Eugene Y.-X.; Abboud, Khalil A.","Ligand Exchange and Alkyl Abstraction Involving (Perfluoroaryl)boranes and -alanes with Aluminum and Gallium Alkyls","Organometallics","2000","19","23","4684","","10.1021/om000573k","","","0.71073","MoKα","","0.052","0.0394","","","0.104","0.1095","","","","","","1.039","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077608","20.8365","0.0002","15.0577","0.0002","24.9047","0.0003","90","","93.693","0.001","90","","7797.62","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.9 H60.3 I2 N3 O24.81 Rh15 -","- C52.37 H59.22 I2 N3 O24.79 Rh15 -","- C209.48 H236.88 I8 N12 O99.16 Rh60 -","4","1","","Fumagalli, Alessandro; Martinengo, Secondo; Bernasconi, Giovanni; Noziglia, Luciana; Albano, Vincenzo G.; Monari, Magda; Castellari, Carlo","Skeletal Growth by Condensation of Small Metal Fragments on a Carbido Carbonyl Cluster. Synthesis of the Anions [Rh15C2(CO)24X2]3-(X = Cl, Br, I) and Molecular Structure of the Bromo and Iodo Derivatives","Organometallics","2000","19","24","5149","","10.1021/om000577p","","","0.71073","MoKα","","0.0424","0.0269","","0.0694","0.0648","","","","0.988","1.08","1.08","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077609","21.696","0.004","18.109","0.003","19.249","0.003","90","","90","","90","","7563","2","203","2","203","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H127 Al4 Li3 N12 -","- C51.998 H117 Al4 Li3 N12 -","- C207.992 H468 Al16 Li12 N48 -","4","1","","Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.","Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes","Organometallics","2000","19","26","5683","","10.1021/om000603j","","","0.71073","MoKα","","0.1549","0.108","","","0.2831","0.322","","","","","","1.119","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077610","18.9693","0.0017","10.8903","0.001","18.7885","0.0017","90","","90","","90","","3881.4","0.6","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H68 Ga2 Li3 N7 -","- C28 H68 Ga2 Li3 N7 -","- C112 H272 Ga8 Li12 N28 -","4","1","","Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.","Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes","Organometallics","2000","19","26","5683","","10.1021/om000603j","","","0.71073","MoKα","","0.0563","0.0349","","","0.0766","0.0858","","","","","","1.013","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077611","18.929","0.007","10.966","0.004","18.59","0.007","90","","90","","90","","3859","2","203","2","203","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H68 Al2 Li3 N7 -","- C28 H63 Al2 Li3 N7 -","- C112 H252 Al8 Li12 N28 -","4","1","","Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.","Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes","Organometallics","2000","19","26","5683","","10.1021/om000603j","","","0.71073","MoKα","","0.0828","0.0688","","","0.1854","0.1907","","","","","","1.026","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077612","19.974","0.005","9.9","0.001","22.472","0.005","90","","122.375","0.009","90","","3753","1.4","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di(bis(TMS)benzyl)calcium.THF2","","- C17 H31 Ca0.5 O Si2 -","- C17 H31 Ca0.5 O Si2 -","- C136 H248 Ca4 O8 Si16 -","8","1","","Feil, Florian; Harder, Sjoerd","α,α-Bis(trimethylsilyl)-Substituted Benzyl Complexes of Potassium and Calcium","Organometallics","2000","19","24","5010","","10.1021/om0006209","","","0.71073","MoKα","","0.0803","0.0421","","","0.1003","0.1136","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077613","6.5946","0.0006","13.388","0.001","17.544","0.002","90","","90","","90","","1548.9","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis(TMS)benzyl)potassium","","","- C13 H23 K Si2 -","- C13 H23 K Si2 -","- C52 H92 K4 Si8 -","4","1","","Feil, Florian; Harder, Sjoerd","α,α-Bis(trimethylsilyl)-Substituted Benzyl Complexes of Potassium and Calcium","Organometallics","2000","19","24","5010","","10.1021/om0006209","","","0.71073","MoKα","","0.0566","0.0337","","","0.0696","0.0758","","","","","","1.056","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077614","11.9276","0.0004","13.9813","0.0005","18.2051","0.0005","90","","97.57","0.0019","90","","3009.48","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Cu P3 S Si -","- C21 H54 Cu P3 S Si -","- C84 H216 Cu4 P12 S4 Si4 -","4","1","","Tran, Diem T. T.; Corrigan, John F.","Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates","Organometallics","2000","19","24","5202","","10.1021/om000624d","","","0.71073","MoKα","","0.0358","0.0267","","","0.0691","0.0716","","","","","","1.062","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077615","16.7522","0.0007","11.6163","0.0003","17.4349","0.0007","90","","117.278","0.0014","90","","3015.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H59.25 Cu P3 Se Si -","- C21 H59.25 Cu P3 Se Si -","- C84 H237 Cu4 P12 Se4 Si4 -","4","1","","Tran, Diem T. T.; Corrigan, John F.","Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates","Organometallics","2000","19","24","5202","","10.1021/om000624d","","","0.71073","MoKα","","0.0921","0.0393","","","0.0786","0.0886","","","","","","0.943","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077616","16.5294","0.0003","12.0854","0.0002","16.9309","0.0003","90","","115.671","0.001","90","","3048.36","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Cu P3 Si Te -","- C21 H54 Cu P3 Si Te -","- C84 H216 Cu4 P12 Si4 Te4 -","4","1","","Tran, Diem T. T.; Corrigan, John F.","Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates","Organometallics","2000","19","24","5202","","10.1021/om000624d","","","0.71073","MoKα","","0.0384","0.0334","","","0.083","0.0865","","","","","","1.056","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077617","10.901","0.0002","11.1233","0.0002","17.3734","0.0002","92.889","0.0011","97.316","0.0011","105.114","0.0007","2009.48","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H72 Cu P3 S Si -","- C30 H72 Cu P3 S Si -","- C60 H144 Cu2 P6 S2 Si2 -","2","1","","Tran, Diem T. T.; Corrigan, John F.","Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates","Organometallics","2000","19","24","5202","","10.1021/om000624d","","","0.71073","MoKα","","0.0412","0.0357","","","0.0851","0.0886","","","","","","1.058","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077618","10.8887","0.0004","11.1231","0.0005","17.3991","0.0004","94.015","0.002","97.069","0.002","103.93","0.003","2018.9","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H72 Cu P3 Se Si -","- C30 H72 Cu P3 Se Si -","- C60 H144 Cu2 P6 Se2 Si2 -","2","1","","Tran, Diem T. T.; Corrigan, John F.","Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates","Organometallics","2000","19","24","5202","","10.1021/om000624d","","","0.71073","MoKα","","0.0576","0.0406","","","0.0993","0.1096","","","","","","1.023","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077619","10.912","0.0002","11.136","0.0002","17.54","0.0002","95.014","0.0011","97.08","0.0011","102.223","0.0011","2052.99","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H72 Cu P3 Si Te -","- C30 H72 Cu P3 Si Te -","- C60 H144 Cu2 P6 Si2 Te2 -","2","1","","Tran, Diem T. T.; Corrigan, John F.","Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates","Organometallics","2000","19","24","5202","","10.1021/om000624d","","","0.71073","MoKα","","0.0401","0.0342","","","0.0857","0.0899","","","","","","1.069","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077620","15.645","0.003","16.76","0.004","19.187","0.006","111.34","0.03","103.23","0.03","96.79","0.03","4448","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H92 Li3 O13 Y -","- C88 H92 Li3 O13 Y -","- C176 H184 Li6 O26 Y2 -","2","1","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.3393","0.0837","","","0.1385","0.204","","","","","","0.557","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077621","15.1989","0.0016","15.1989","0.0016","55.338","0.009","90","","90","","120","","11071","2","213","2","213","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C84 H84 Na3 O12 Y -","- C84 H84 Na3 O12 Y -","- C504 H504 Na18 O72 Y6 -","6","0.333333","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.112","0.0596","","","0.1101","0.1227","","","","","","0.841","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077622","14.9654","0.0016","37.174","0.003","15.152","0.0015","90","","118.496","0.012","90","","7408.2","1.5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H75.5 Eu Li3 O10.5 -","- C76 H75.5 Eu Li3 O10.5 -","- C304 H302 Eu4 Li12 O42 -","4","2","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.1008","0.0648","","","0.1544","0.1685","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077623","15.1157","0.001","15.1157","0.001","59.098","0.007","90","","90","","120","","11693.9","1.8","213","2","213","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C88 H94 Li3 O13 Yb -","- C88 H94 Li3 O13 Yb -","- C528 H564 Li18 O78 Yb6 -","6","0.5","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.1156","0.0987","","","0.1993","0.2214","","","","","","1.097","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077624","15.1044","0.0017","15.1044","0.0017","18.419","0.002","90","","90","","120","","3639.2","0.7","213","2","213","2","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 Na3 O12 Yb -","- C84 H84 Na3 O12 Yb -","- C168 H168 Na6 O24 Yb2 -","2","0.333333","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.031","0.0269","","","0.0632","0.0645","","","","","","1.097","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077625","15.2581","0.0017","15.2581","0.0017","18.207","0.002","90","","90","","120","","3670.9","0.7","213","2","213","2","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 La Na3 O13 -","- C84 H84 La Na3 O13 -","- C168 H168 La2 Na6 O26 -","2","0.333333","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.0341","0.025","","","0.0528","0.0545","","","","","","0.933","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077626","11.873","0.004","12.229","0.009","20.913","0.003","90","","93.68","0.02","90","","3030","2","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 N2 O8.5 S7 W -","- C18 H24 N2 O9 S7 W -","- C72 H96 N8 O36 S28 W4 -","4","2","","Lim, Patrick J.; Cook, Vernon C.; Doonan, Christian J.; Young, Charles G.; Tiekink, Edward R. T.","Transformations Leading to the Generation of Dithiolene Ligands Initiated by Reactions of Sulfur-Rich WS(S2)(S2CNR2)2Complexes with Dimethyl Acetylenedicarboxylate and Phenylacetylene","Organometallics","2000","19","26","5643","","10.1021/om0006561","","","0.7107","MoKalpha","","","0.0421","","","0.0559","","","","","1.919","1.919","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077627","9.278","0.003","13.794","0.004","14.174","0.002","71.82","0.03","76.68","0.02","78.16","0.03","1659.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H38 N2 O8 S6 W -","- C23 H18 N2 O8 S6 W -","- C46 H36 N4 O16 S12 W2 -","2","1","","Lim, Patrick J.; Cook, Vernon C.; Doonan, Christian J.; Young, Charles G.; Tiekink, Edward R. T.","Transformations Leading to the Generation of Dithiolene Ligands Initiated by Reactions of Sulfur-Rich WS(S2)(S2CNR2)2Complexes with Dimethyl Acetylenedicarboxylate and Phenylacetylene","Organometallics","2000","19","26","5643","","10.1021/om0006561","","","0.71069","MoKα","","0.0362","0.0308","","","0.0769","0.0797","","","","","","1.076","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077628","10.3801","0.0006","16.7455","0.0014","19.4553","0.0015","90","","95.94","0.006","90","","3363.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{(C5Me5)Ru}2Co(CO)3(PMe2Ph)B3H4","","- C31 H45 B3 Co O3 P Ru2 -","- C31 H45 B3 Co O3 P Ru2 -","- C124 H180 B12 Co4 O12 P4 Ru8 -","4","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reaction of Phosphines and Pyridine with a Heterometal Metallaborane. Ligand Substitution on Boron vs Metal Sites, Borane Displacement, and Orthometalation of a Boron-Coordinated Pyridine","Organometallics","2000","19","25","5266","","10.1021/om000667u","","","0.71073","MoKα","","0.0527","0.0415","","0.12","0.1095","","","","1.003","1.017","1.017","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077629","17.0349","0.0015","15.777","0.0013","22.1476","0.0016","90","","90","","90","","5952.4","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{Cp*Ru(CO)}{Cp*Ru}{Co(CO)2(mu-CO)(NC4H4C)(BH)2","","- C29 H36 B2 Co N O4 Ru2 -","- C29 H36 B2 Co N O4 Ru2 -","- C232 H288 B16 Co8 N8 O32 Ru16 -","8","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reaction of Phosphines and Pyridine with a Heterometal Metallaborane. Ligand Substitution on Boron vs Metal Sites, Borane Displacement, and Orthometalation of a Boron-Coordinated Pyridine","Organometallics","2000","19","25","5266","","10.1021/om000667u","","","0.71073","MoKα","","0.0563","0.0368","","","0.0847","0.0936","","","","","","1.047","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077630","8.788","0.0014","9.276","0.002","20.171","0.003","97.418","0.019","97.89","0.02","111.35","0.015","1488.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{Cp*Ru}2{Co(CO)3(mu-CO)(BNC5H5)}(BH)2","","- C29 H37 B3 Co N O4 Ru2 -","- C29 H37 B3 Co N O4 Ru2 -","- C58 H74 B6 Co2 N2 O8 Ru4 -","2","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reaction of Phosphines and Pyridine with a Heterometal Metallaborane. Ligand Substitution on Boron vs Metal Sites, Borane Displacement, and Orthometalation of a Boron-Coordinated Pyridine","Organometallics","2000","19","25","5266","","10.1021/om000667u","","","0.71073","MoKα","","0.0466","0.0399","","","0.1021","0.1078","","","","","","1.05","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077631","9.4626","0.0001","28.851","0.0002","13.96","0.0002","90","","104.177","0.001","90","","3695.08","0.07","180","1","180","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 P Te3 -","- C42 H35 P Te3 -","- C168 H140 P4 Te12 -","4","1","","Witthaut, Daniel; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","Isolation of a Catenated Organotelluride Anion in the Sodium Borohydride Reduction of Diphenylditelluride","Organometallics","2000","19","24","5238","","10.1021/om000669e","","","0.71073","MoKα","","0.0406","0.0314","","0.0758","0.0723","","","","1.044","1.083","1.083","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077632","9.4734","0.0001","28.8035","0.0002","14.1073","0.0001","90","","104.285","0.001","90","","3730.4","0.06","180","1","180","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 As Te3 -","- C42 H35 As Te3 -","- C168 H140 As4 Te12 -","4","1","","Witthaut, Daniel; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","Isolation of a Catenated Organotelluride Anion in the Sodium Borohydride Reduction of Diphenylditelluride","Organometallics","2000","19","24","5238","","10.1021/om000669e","","","0.71073","MoKα","","0.0387","0.027","","0.0604","0.0562","","","","1.03","1.062","1.062","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077633","13.816","0.006","14.931","0.004","10.731","0.005","93.54","0.03","99.38","0.04","78.16","0.03","2136.7","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H31 Cl2 Fe4 Ga2 N3 O8 -","- C40 H31 Cl2 Fe4 Ga2 N3 O8 -","- C80 H62 Cl4 Fe8 Ga4 N6 O16 -","2","1","","Ueno, Keiji; Watanabe, Takahito; Ogino, Hiroshi","Synthesis of Cationic Diiron Complexes Bridged by a Base-Stabilized Gallium Atom [Fp2(μ-Ga·Do2)]+X-(Fp = (η-C5H5)Fe(CO)2, Do2= 2,2‘-Bipyridine,N,N,N‘,N‘-Tetramethylethylenediamine, 1,10-Phenanthroline, (4-(Dimethylamino)pyridine)2, X-= [Fp2GaCl2]-, BPh4-)","Organometallics","2000","19","26","5679","","10.1021/om000673q","","","0.71073","MoKα","","0.133","0.0506","","","0.1098","0.1349","","","","","","1.011","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077634","13.1387","0.0009","14.902","0.001","13.857","0.0009","90","","97.431","0.001","90","","2690.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cl2 N8 O12 Re4 Sn -","- C44 H50 Cl2 N8 O12 Re4 Sn -","- C88 H100 Cl4 N16 O24 Re8 Sn2 -","2","0.5","","Zhang, Cungen; Guzei, Ilia A.; Espenson, James H.","Acidic C−H Activation of Methyltrioxorhenium(VII): Isolation and Characterization of Two Compounds Having the Novel Group C5H5N−CH2−ReO2Coordinated to Tin(IV)","Organometallics","2000","19","25","5257","","10.1021/om000683r","","","0.71073","MoKα","","0.0268","0.022","","","0.0463","0.0475","","","","","","1.043","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077635","16.0805","0.0007","9.5146","0.0004","24.184","0.0011","90","","108.163","0.001","90","","3515.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 Cl8 N8 O12 Re4 Sn -","- C52 H58 Cl2 N8 O4 Re2 Sn -","- C104 H116 Cl4 N16 O8 Re4 Sn2 -","2","0.5","","Zhang, Cungen; Guzei, Ilia A.; Espenson, James H.","Acidic C−H Activation of Methyltrioxorhenium(VII): Isolation and Characterization of Two Compounds Having the Novel Group C5H5N−CH2−ReO2Coordinated to Tin(IV)","Organometallics","2000","19","25","5257","","10.1021/om000683r","","","0.71073","MoKα","","0.0893","0.0697","","","0.1733","0.1811","","","","","","1.055","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077636","12.3391","0.001","15.5925","0.0013","16.5319","0.0014","90","","101.176","0.002","90","","3120.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Li2 O -","- C40 H34 Li2 O -","- C160 H136 Li8 O4 -","4","0.5","","Rabe, Gerd W.; Sommer, Roger D.; Rheingold, Arnold L.","Synthesis and X-ray Crystal Structure Determination of Tetrahydrofuran Adducts of Two Terphenyllithium Compounds†","Organometallics","2000","19","25","5537","","10.1021/om0006864","","","0.71073","MoKα","","0.0718","0.0552","","","0.1324","0.1477","","","","","","1.078","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077637","7.7747","0.0007","20.33","0.002","16.8532","0.0017","90","","97.085","0.002","90","","2643.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Li O2 -","- C34 H33 Li O2 -","- C136 H132 Li4 O8 -","4","1","","Rabe, Gerd W.; Sommer, Roger D.; Rheingold, Arnold L.","Synthesis and X-ray Crystal Structure Determination of Tetrahydrofuran Adducts of Two Terphenyllithium Compounds†","Organometallics","2000","19","25","5537","","10.1021/om0006864","","","0.71073","MoKα","","0.1213","0.0953","","","0.2114","0.2307","","","","","","1.151","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077638","9.5566","0.0002","13.7631","0.0003","20.917","0.0005","90","","101.106","0.002","90","","2699.66","0.11","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 Cr N O7 Re -","- C27 H20 Cl2 Cr N O7 Re -","- C108 H80 Cl8 Cr4 N4 O28 Re4 -","4","1","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.042","0.035","","0.058","","0.051","","","1.127","","","1.015","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077639","10.1444","0.0003","14.3587","0.0003","16.4887","0.0006","90","","92.744","0.009","90","","2399","0.12","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cr Mn N O7 -","- C24 H22 Cr Mn N O7 -","- C96 H88 Cr4 Mn4 N4 O28 -","4","1","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.049","0.034","","0.05","","0.049","","","1.005","","","1.02","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077640","9.189","0.0002","12.903","0.0004","13.061","0.0004","62.701","0.007","76.915","0.007","76.943","0.007","1326.98","0.11","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H48 Cl2 Cr2 Mn2 N2 O15 -","- C49 H44 Cl2 Cr2 Mn2 N2 O15 -","- C49 H44 Cl2 Cr2 Mn2 N2 O15 -","1","0.5","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.074","0.047","","0.076","","0.075","","","1.556","","","1.525","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077641","10.4149","0.0003","16.1127","0.0003","16.8256","0.0005","90","","90","","90","","2823.54","0.13","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cr Mn N O7 -","- C28 H32 Cr Mn N O7 -","- C112 H128 Cr4 Mn4 N4 O28 -","4","1","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.054","0.034","","0.045","","0.041","","","1.027","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077642","20.233","0.0007","16.576","0.0003","16.912","0.0005","90","","114.618","0.004","90","","5156.4","0.3","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cr Mn N O8 -","- C26 H22 Cr Mn N O8 -","- C208 H176 Cr8 Mn8 N8 O64 -","8","2","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.094","0.04","","0.092","","0.059","","","1.705","","","1.108","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077643","15.392","0.0007","10.891","0.0005","14.872","0.0005","90","","91.03","0.002","90","","2492.65","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cr Mn N O8 -","- C26 H22 Cr Mn N O8 -","- C104 H88 Cr4 Mn4 N4 O32 -","4","1","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.063","0.044","","0.09","","0.083","","","1.604","","","1.509","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077644","15.594","0.004","16.407","0.004","21.718","0.005","90","","96.97","0.006","90","","5516","2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H160 Cl2 Li6 N10 O8 Sm2 -","- C112 H160 Cl2 Li6 N10 O8 Sm2 -","- C224 H320 Cl4 Li12 N20 O16 Sm4 -","2","0.5","","Guan, Jingwen; Dubé, Tiffany; Gambarotta, Sandro; Yap, Glenn P. A.","Dinitrogen Labile Coordination versus Four-Electron Reduction, THF Cleavage, and Fragmentation Promoted by a (calix-tetrapyrrole)Sm(II) Complex","Organometallics","2000","19","23","4820","4827","10.1021/om000698p","","","0.71073","MoKα","","0.1581","0.0923","","","0.2264","0.2717","","","","","","1.035","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077645","20.78","0.003","18.755","0.003","12.1258","0.0017","90","","99.509","0.002","90","","4660.8","1.2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Li3 N4 O3 Sm -","- C50 H67 Li3 N4 O3 Sm -","- C200 H268 Li12 N16 O12 Sm4 -","4","1","","Guan, Jingwen; Dubé, Tiffany; Gambarotta, Sandro; Yap, Glenn P. A.","Dinitrogen Labile Coordination versus Four-Electron Reduction, THF Cleavage, and Fragmentation Promoted by a (calix-tetrapyrrole)Sm(II) Complex","Organometallics","2000","19","23","4820","4827","10.1021/om000698p","","","0.71073","MoKα","","0.1037","0.0617","","","0.1487","0.1615","","","","","","1.077","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077646","21.744","0.004","14.088","0.002","19.271","0.003","90","","91.715","0.003","90","","5900.6","1.7","238","2","238","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H91 Li3 N4 O6 Sm -","- C62 H91 Li3 N4 O6 Sm -","- C248 H364 Li12 N16 O24 Sm4 -","4","1","","Guan, Jingwen; Dubé, Tiffany; Gambarotta, Sandro; Yap, Glenn P. A.","Dinitrogen Labile Coordination versus Four-Electron Reduction, THF Cleavage, and Fragmentation Promoted by a (calix-tetrapyrrole)Sm(II) Complex","Organometallics","2000","19","23","4820","4827","10.1021/om000698p","","","0.71073","MoKα","","0.0922","0.0553","","","0.1263","0.14","","","","","","1.066","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077647","14.443","0.001","14.443","0.001","12.267","0.002","90","","90","","90","","2558.9","0.5","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C56 H76 Li4 N4 O4 -","- C56 H76 Li4 N4 O4 -","- C112 H152 Li8 N8 O8 -","2","0.25","","Guan, Jingwen; Dubé, Tiffany; Gambarotta, Sandro; Yap, Glenn P. A.","Dinitrogen Labile Coordination versus Four-Electron Reduction, THF Cleavage, and Fragmentation Promoted by a (calix-tetrapyrrole)Sm(II) Complex","Organometallics","2000","19","23","4820","4827","10.1021/om000698p","","","0.71073","MoKα","","0.1027","0.0751","","","0.2179","0.2399","","","","","","1.057","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077648","13.286","0.002","29.145","0.004","22.784","0.003","90","","103.602","0.002","90","","8575","2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H112 Li3 N10 O2 Sm3 -","- C93 H112 Li3 N10 O2 Sm3 -","- C372 H448 Li12 N40 O8 Sm12 -","4","1","","Guan, Jingwen; Dubé, Tiffany; Gambarotta, Sandro; Yap, Glenn P. A.","Dinitrogen Labile Coordination versus Four-Electron Reduction, THF Cleavage, and Fragmentation Promoted by a (calix-tetrapyrrole)Sm(II) Complex","Organometallics","2000","19","23","4820","4827","10.1021/om000698p","","","0.71073","MoKα","","0.0519","0.0336","","","0.0856","0.0896","","","","","","1.006","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077649","8","0.001","6.363","0.001","10.242","0.001","90","","99.08","0.01","90","","514.83","0.12","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C24 H16 N8 O4 -","2","0.25","","Ding, Li; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Reactivity of Ferrocenylboranes: Rearrangements versus Electron Transfer Reactions","Organometallics","2000","19","26","5763","","10.1021/om000727w","","","0.71073","MoKα","","0.0569","0.0405","","","0.1067","0.1146","","","","","","1.032","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077650","9.017","0.001","14.06","0.002","15.639","0.002","94.09","0.01","104.65","0.01","105.13","0.01","1831.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H37 B2 Cl3 Fe2 N4 O2 -","- C36.5 H37 B2 Cl3 Fe2 N4 O2 -","- C73 H74 B4 Cl6 Fe4 N8 O4 -","2","1","","Ding, Li; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Reactivity of Ferrocenylboranes: Rearrangements versus Electron Transfer Reactions","Organometallics","2000","19","26","5763","","10.1021/om000727w","","","0.71073","MoKα","","0.1165","0.0672","","","0.1825","0.2142","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077651","8.284","0.001","10.362","0.001","11.887","0.001","99.4","0.01","97.98","0.01","106.12","0.01","948.65","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H44 B2 Fe2 N4 O4 S2 -","- C38 H44 B2 Fe2 N4 O4 S2 -","- C38 H44 B2 Fe2 N4 O4 S2 -","1","0.5","","Ding, Li; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Reactivity of Ferrocenylboranes: Rearrangements versus Electron Transfer Reactions","Organometallics","2000","19","26","5763","","10.1021/om000727w","","","0.71073","MoKα","","0.0962","0.066","","","0.1618","0.1774","","","","","","1.09","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077652","15.0169","0.001","10.0777","0.0007","17.0582","0.0008","90","","91.649","0.004","90","","2580.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(trimethylsilyl)bismutan-tri-ethylgallium-Addukt","","- C15 H42 Bi Ga Si3 -","- C15 H42 Bi Ga Si3 -","- C60 H168 Bi4 Ga4 Si12 -","4","1","","Kuczkowski, Andreas; Thomas, Florian; Schulz, Stephan; Nieger, Martin","Synthesis and X-ray Crystal Structures of Novel Al−Bi and Ga−Bi Compounds†","Organometallics","2000","19","26","5758","","10.1021/om0007365","","","0.71073","MoKα","","0.0604","0.0434","","","0.0984","0.1023","","","","","","0.981","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077653","8.9595","0.0004","10.2084","0.0004","14.9286","0.0004","85.081","0.002","89.859","0.002","67.948","0.002","1260.2","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Tri-isopropylbismut-tris(tert.butyl)gallium-adduct","","- C21 H48 Bi Ga -","- C20.982 H48 Bi Ga -","- C41.964 H96 Bi2 Ga2 -","2","1","","Kuczkowski, Andreas; Thomas, Florian; Schulz, Stephan; Nieger, Martin","Synthesis and X-ray Crystal Structures of Novel Al−Bi and Ga−Bi Compounds†","Organometallics","2000","19","26","5758","","10.1021/om0007365","","","0.71073","MoKα","","0.0283","0.0246","","","0.0571","0.0581","","","","","","1.023","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077654","14.385","0.0005","9.9173","0.0004","17.45","0.0007","90","","110.512","0.002","90","","2331.59","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylaluminium-bis(trimethylsilyl)bismutan-dimethylamino- pyridin-adduct","","- C15 H34 Al Bi N2 Si2 -","- C15 H34 Al Bi N2 Si2 -","- C60 H136 Al4 Bi4 N8 Si8 -","4","1","","Kuczkowski, Andreas; Thomas, Florian; Schulz, Stephan; Nieger, Martin","Synthesis and X-ray Crystal Structures of Novel Al−Bi and Ga−Bi Compounds†","Organometallics","2000","19","26","5758","","10.1021/om0007365","","","0.71073","MoKα","","0.0529","0.0413","","","0.0932","0.0966","","","","","","1.012","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077655","9.6324","0.0004","10.3942","0.0004","14.144","0.0004","77.476","0.002","76.342","0.002","69.756","0.002","1276.8","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Diethylaluminium-bis(trimethylsilyl)bismutan-Dimethylaminopyridin-adduct","","- C17 H38 Al Bi N2 Si2 -","- C17 H38 Al Bi N2 Si2 -","- C34 H76 Al2 Bi2 N4 Si4 -","2","1","","Kuczkowski, Andreas; Thomas, Florian; Schulz, Stephan; Nieger, Martin","Synthesis and X-ray Crystal Structures of Novel Al−Bi and Ga−Bi Compounds†","Organometallics","2000","19","26","5758","","10.1021/om0007365","","","0.71073","MoKα","","0.0439","0.0404","","","0.1064","0.1079","","","","","","1.101","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077656","7.5054","0.0006","9.7217","0.0007","15.8937","0.0011","106.269","0.002","90.816","0.001","108.59","0.001","1048.31","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 Ru -","- C25 H26 N2 Ru -","- C50 H52 N4 Ru2 -","2","1","","Perera, Jayani R.; Heeg, Mary Jane; Winter, Charles H.","η5-Imidazolato Complexes of Ruthenium","Organometallics","2000","19","25","5263","","10.1021/om000810j","","","0.71073","MoKα","","0.0706","0.0454","","","0.09","0.0971","","","","","","0.941","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077657","11.643","0.004","10.994","0.003","20.086","0.006","90","","104.59","0.04","90","","2488.2","1.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2-(dimethylaminomethyl)ferrocenyl]lead(II)","[2-(dimethylaminomethyl)ferrocenyl]lead(II) ?","","- C26 H32 Fe2 N2 Pb -","- C26 H32 Fe2 N2 Pb -","- C104 H128 Fe8 N8 Pb4 -","4","1","","Seidel, Naka; Jacob, Klaus; van der Zeijden, Adolphus A. H.; Menge, Heike; Merzweiler, Kurt; Wagner, Christoph","Synthesis and Characterization of a Stable Organolead(II) Compound: Bis[2-(N,N-dimethylaminomethyl)ferrocenyl]lead†","Organometallics","2000","19","7","1438","","10.1021/om990614g","","","0.71073","MoKα","","0.0313","0.0268","","","0.0657","0.0676","","","","","","1.009","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077658","19.239","0.005","10.628","0.0019","24.756","0.006","90","","103.95","0.03","90","","4913","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[2-(dimethylaminomethyl)ferrocenyl]lead(II)","[2-(dimethylaminomethyl)ferrocenyl)]lead(II) ?","","- C26 H32 Fe2 N2 Pb -","- C26 H32 Fe2 N2 Pb -","- C208 H256 Fe16 N16 Pb8 -","8","1","","Seidel, Naka; Jacob, Klaus; van der Zeijden, Adolphus A. H.; Menge, Heike; Merzweiler, Kurt; Wagner, Christoph","Synthesis and Characterization of a Stable Organolead(II) Compound: Bis[2-(N,N-dimethylaminomethyl)ferrocenyl]lead†","Organometallics","2000","19","7","1438","","10.1021/om990614g","","","0.7103","MoKα","","0.0388","0.029","","","0.0692","0.0723","","","","","","1.073","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077659","9.006","0.001","22.009","0.002","20.763","0.002","90","","101.83","0.01","90","","4028.1","0.7","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 Na O2 Sm -","- C44 H50 N2 Na O2 Sm -","- C176 H200 N8 Na4 O8 Sm4 -","4","1","","Wang, Yaorong; Shen, Qi; Xue, Feng; Yu, Kaibei","Novel Anionic Lanthanocene Amide Complexes: Syntheses and X-ray Crystal Structures of [Na(THF)2(μ-η5:η5-MeC5H4)2Ln(NPh2)2]n(Ln = Sm, Er)","Organometallics","2000","19","3","357","","10.1021/om9906215","","","0.71073","MoKα","","0.0603","0.0555","","","0.1393","0.1438","","","","","","1.109","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077660","8.889","0.002","21.982","0.004","20.646","0.003","90","","101.3","0.01","90","","3956","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Er N2 Na O2 -","- C44 H50 Er N2 Na O2 -","- C176 H200 Er4 N8 Na4 O8 -","4","1","","Wang, Yaorong; Shen, Qi; Xue, Feng; Yu, Kaibei","Novel Anionic Lanthanocene Amide Complexes: Syntheses and X-ray Crystal Structures of [Na(THF)2(μ-η5:η5-MeC5H4)2Ln(NPh2)2]n(Ln = Sm, Er)","Organometallics","2000","19","3","357","","10.1021/om9906215","","","0.71073","MoKα","","0.0851","0.0436","","","0.0845","0.0931","","","","","","0.899","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077661","11.9551","0.0011","14.0018","0.0013","12.4844","0.0012","90","","99.183","0.008","90","","2063","0.3","200","0.2","200","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chloro-dicarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- rhodium(i)-osmium(ii)","","- C18 H20 Cl N4 O2 Os Rh -","- C18 H20 Cl N4 O2 Os Rh -","- C72 H80 Cl4 N16 O8 Os4 Rh4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A.","Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes","Organometallics","2000","19","5","798","","10.1021/om990624h","","","0.71073","MoKα","","0.0439","0.0314","","","0.0725","0.0753","","","","","","0.937","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077662","9.7378","0.0008","11.2371","0.0011","18.8008","0.0014","73.716","0.006","83.814","0.006","78.431","0.007","1931.7","0.3","200","0.2","200","0.2","","","","","","","","7","P -1","-P 1","2","","tricarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- rhodium(i)-osmium(ii) tetraphenylborate","","- C43 H40 B N4 O3 Os Rh -","- C43 H40 B N4 O3 Os Rh -","- C86 H80 B2 N8 O6 Os2 Rh2 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A.","Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes","Organometallics","2000","19","5","798","","10.1021/om990624h","","","0.71073","MoKα","","0.056","0.0365","","","0.0731","0.0769","","","","","","0.9","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077663","9.5321","0.0011","12.7061","0.0015","17.966","0.0013","90","","90","","90","","2176","0.4","200","0.2","200","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","iodo-dicarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- iridium(i)-osmium(ii)","","- C18 H20 I Ir N4 O2 Os -","- C18 H20 I Ir N4 O2 Os -","- C72 H80 I4 Ir4 N16 O8 Os4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A.","Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes","Organometallics","2000","19","5","798","","10.1021/om990624h","","","0.71073","MoKα","","0.0465","0.0321","","","0.0471","0.0498","","","","","","1.015","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077664","9.2213","0.0015","13.577","0.002","16.009","0.002","90","","102.544","0.012","90","","1956.4","0.5","200","0.2","200","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","iodo-carbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- rhodium(i)-osmium(ii)","","- C17 H20 I N4 O Os Rh -","- C17 H20 I N4 O Os Rh -","- C68 H80 I4 N16 O4 Os4 Rh4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A.","Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes","Organometallics","2000","19","5","798","","10.1021/om990624h","","","0.71073","MoKα","","0.0809","0.0425","","","0.06","0.0675","","","","","","0.973","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077665","11.624","0.001","12.928","0.0008","16.753","0.0016","80.009","0.006","77","0.003","84.926","0.006","2412.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 B20 Li O4 Sm -","- C36 H60 B20 Li O4 Sm -","- C72 H120 B40 Li2 O8 Sm2 -","2","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0542","0.0508","","","0.1396","0.1425","","","","","","1.054","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077666","11.994","0.003","13.266","0.004","17.716","0.005","76.83","0.02","76.13","0.018","85.856","0.016","2664.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 B20 Li O4 Sm -","- C44 H52 B20 Li O4 Sm -","- C88 H104 B40 Li2 O8 Sm2 -","2","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0842","0.0745","","","0.2073","0.2263","","","","","","1.013","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077667","20.354","0.0019","9.6415","0.0007","15.4","0.0014","90","","90","","90","","3022.1","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H42 B10 O4 Yb -","- C22 H42 B10 O4 Yb -","- C88 H168 B40 O16 Yb4 -","4","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0767","0.0673","","","0.167","0.1744","","","","","","1.141","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077668","12.716","0.003","21.471","0.004","22.011","0.004","90","","90","","90","","6010","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 B20 Li O6 Yb -","- C47 H82 B20 Li O6 Yb -","- C188 H328 B80 Li4 O24 Yb4 -","4","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0628","0.0574","","","0.1477","0.1523","","","","","","1.059","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077669","11.551","0.003","12.899","0.003","16.805","0.004","79.912","0.008","76.46","0.019","83.453","0.017","2389.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 B20 Li O4 Yb -","- C36 H62 B20 Li O4 Yb -","- C72 H124 B40 Li2 O8 Yb2 -","2","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0994","0.0956","","","0.245","0.2477","","","","","","1.171","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077670","11.645","0.0006","12.959","0.0006","16.732","0.001","79.917","0.004","77.13","0.002","84.865","0.004","2420.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 B20 Li Nd O4 -","- C36 H64 B20 Li Nd O4 -","- C72 H128 B40 Li2 Nd2 O8 -","2","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0596","0.0582","","","0.1688","0.1711","","","","","","1.025","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077671","11.874","0.002","31.547","0.006","18.809","0.004","90","","105.16","0.008","90","","6800","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H90 B20 Li O6 Yb -","- C54 H90 B20 Li O6 Yb -","- C216 H360 B80 Li4 O24 Yb4 -","4","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.1171","0.0964","","","0.2345","0.2538","","","","","","1.099","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077672","9.5596","0.0008","19.739","0.004","17.731","0.002","90","","104.555","0.008","90","","3238.4","0.8","243","","243","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Ba Si2 -","- C34 H46 Ba Si2 -","- C136 H184 Ba4 Si8 -","4","1","","Weeber, Armin; Harder, Sjoerd; Brintzinger, Hans H.; Knoll, Konrad","Homoleptic and Heteroleptic Barium Benzyl Complexes: Synthesis and Reactivity as Initiators for Anionic Styrene Polymerizations","Organometallics","2000","19","7","1325","","10.1021/om990705d","","","0.71073","MoKα","","0.057","0.0381","","0.1082","","0.0918","","","1.057","","","1.09","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077673","15.099","0.002","16.131","0.002","19.817","0.003","108.2","0.03","103.14","0.03","94.34","0.03","4408.7","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.73 H34 F6 O7 P2 Ru S2 -","- C46.7315 H31.5 F6 O7 P2 Ru S2 -","- C186.926 H126 F24 O28 P8 Ru4 S8 -","4","2","","den Reijer, Carolien J.; Wörle, Michael; Pregosin, Paul S.","P−C Bond Splitting Reactions in Ruthenium(II) Complexes of Binap and MeO−Biphep Using CF3SO3H and HBF4. A Novel Ru−F−H Interaction","Organometallics","2000","19","3","309","","10.1021/om990714m","","","0.71073","MoKα","","0.0885","0.05","","","0.1221","0.1457","","","","","","0.976","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077674","21.02","0.003","10.294","0.002","21.626","0.003","90","","117.16","0.03","90","","4163.5","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 F6 O9 P2 Ru S2 -","- C40 H34 F6 O9 P2 Ru S2 -","- C160 H136 F24 O36 P8 Ru4 S8 -","4","1","","den Reijer, Carolien J.; Wörle, Michael; Pregosin, Paul S.","P−C Bond Splitting Reactions in Ruthenium(II) Complexes of Binap and MeO−Biphep Using CF3SO3H and HBF4. A Novel Ru−F−H Interaction","Organometallics","2000","19","3","309","","10.1021/om990714m","","","0.71073","MoKα","","0.1071","0.0695","","","0.1793","0.2061","","","","","","1.04","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077675","10.5712","0.0017","15.2271","0.0016","15.605","0.003","79.574","0.012","74.864","0.017","71.81","0.01","2290","0.7","294","","294","","","","","","","","?","5","P -1","-P 1","2","","","","- C50.75 H38 Cl3.5 Fe2 Ti -","- C50.75 H38 Cl3.5 Fe2 Ti -","- C101.5 H76 Cl7 Fe4 Ti2 -","2","1","","Hudson, Richard D. A.; Foxman, Bruce M.; Rosenblum, Myron","New Face-To-Face Metallocene Triads","Organometallics","2000","19","4","469","","10.1021/om990750l","","","0.71073","MoKα","","","0.0951","","","0.1097","","","","","0.9852","0.9852","","","","","has coordinates","190534","2020-10-21","18:00:00",""
"4077676","9.6251","0.0003","14.4492","0.0004","13.3573","0.0005","90","","92.121","0.001","90","","1856.39","0.1","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O Se2 W -","- C18 H20 O Se2 W -","- C72 H80 O4 Se8 W4 -","4","1","","Mathur, Pradeep; Ahmed, Moawia O.; Dash, Aswini K.; Kaldis, John H.","Synthesis of New Selenium- and Oxygen-Containing Tungsten Acetylide Complexes [(η5-C5Me5)W(O)(Se2)(CCPh)] and [(η5-C5Me5)W(Se5CCPh)]","Organometallics","2000","19","5","941","","10.1021/om990775k","","","0.71073","MoKα","","0.0609","0.0338","","0.0815","0.0733","","","","1.009","1.093","1.093","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077677","7.191","0.002","8.353","0.002","17.93","0.005","100.669","0.006","93.552","0.005","99.281","0.008","1039.8","0.5","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 Se5 W -","- C18 H20 Se5 W -","- C36 H40 Se10 W2 -","2","1","","Mathur, Pradeep; Ahmed, Moawia O.; Dash, Aswini K.; Kaldis, John H.","Synthesis of New Selenium- and Oxygen-Containing Tungsten Acetylide Complexes [(η5-C5Me5)W(O)(Se2)(CCPh)] and [(η5-C5Me5)W(Se5CCPh)]","Organometallics","2000","19","5","941","","10.1021/om990775k","","","0.71073","MoKα","","0.0512","0.0317","","0.0724","0.0661","","","","0.891","0.952","0.952","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077678","9.775","0.002","11.127","0.002","13.44","0.002","99.18","0.02","105.12","0.02","102.03","0.01","1344.3","0.5","293","2","293","2","","","","","","","CH2Cl2/ET2O","5","P -1","-P 1","2","","","","- C25 H41 N O5 W -","- C25 H41 N O5 W -","- C50 H82 N2 O10 W2 -","2","1","","Shafiq, Faisal; Szalda, David J.; Creutz, Carol; Bullock, R. Morris","Water-Soluble Tungsten Hydrides: Synthesis, Structures, and Reactions of (C5H4CO2H)(CO)3WH and Related Complexes","Organometallics","2000","19","5","824","","10.1021/om990778x","","","0.71073","MoKα","","0.0869","0.0361","","0.0915","0.0797","","","","1.053","1.107","1.107","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077679","7.648","0.002","10.888","0.003","12.64","0.004","90","0.02","102.97","0.02","90","0.02","1025.7","0.5","293","2","293","2","","","","","","","THF/hexanes","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 O5 W -","- C9 H5 O5 W -","- C36 H20 O20 W4 -","4","1","","Shafiq, Faisal; Szalda, David J.; Creutz, Carol; Bullock, R. Morris","Water-Soluble Tungsten Hydrides: Synthesis, Structures, and Reactions of (C5H4CO2H)(CO)3WH and Related Complexes","Organometallics","2000","19","5","824","","10.1021/om990778x","","","0.71073","MoKα","","0.0776","0.034","","0.0899","0.0744","","","","0.988","1.081","1.081","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077680","11.92","0.003","6.642","0.002","18.845","0.004","90","","106.76","0.03","90","","1428.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N3 O2 P W -","- C13 H18 N3 O2 P W -","- C52 H72 N12 O8 P4 W4 -","4","1","","Shafiq, Faisal; Szalda, David J.; Creutz, Carol; Bullock, R. Morris","Water-Soluble Tungsten Hydrides: Synthesis, Structures, and Reactions of (C5H4CO2H)(CO)3WH and Related Complexes","Organometallics","2000","19","5","824","","10.1021/om990778x","","","0.71073","MoKα","","0.081","0.058","","","0.1603","0.1663","","","","","","1.329","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077681","11.12","0.009","15.739","0.005","30.074","0.018","90","","95.4","0.06","90","","5240","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 P2 Rh2 -","- C26 H36 P2 Rh2 -","- C208 H288 P16 Rh16 -","8","2","","Cronin, Leroy; Higgitt, Catherine L.; Perutz, Robin N.","Structure and Dynamic Exchange in Rhodium η2-Naphthalene and Rhodium η2-Phenanthrene Complexes: Quantitative NOESY and EXSY Studies","Organometallics","2000","19","4","672","","10.1021/om9908377","","","0.71069","MoKα","","0.0781","0.0475","","0.2248","0.1232","","","","1.112","1.09","1.09","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077682","12.9195","0.0003","11.4336","0.0003","11.8833","0.0003","90","","108.133","0.001","90","","1668.18","0.07","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 F3 N3 O3 Pt S -","- C12 H18 F3 N3 O3 Pt S -","- C48 H72 F12 N12 O12 Pt4 S4 -","4","1","","Hinman, Justin G.; Baar, Cliff R.; Jennings, Michael C.; Puddephatt, Richard J.","Protonolysis of Dimethylplatinum(II) Complexes: Primary Attack at Metal or Ligand","Organometallics","2000","19","4","563","","10.1021/om990840q","","","0.71073","MoKα","","0.0668","0.0365","","","0.0736","0.0815","","","","","","1.008","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077683","9.0192","0.0005","18.6474","0.001","12.9098","0.0008","90","","109.413","0.003","90","","2047.8","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F6 N3 O4 Pt -","- C15 H18 F6 N3 O4 Pt -","- C60 H72 F24 N12 O16 Pt4 -","4","1","","Hinman, Justin G.; Baar, Cliff R.; Jennings, Michael C.; Puddephatt, Richard J.","Protonolysis of Dimethylplatinum(II) Complexes: Primary Attack at Metal or Ligand","Organometallics","2000","19","4","563","","10.1021/om990840q","","","0.71073","MoKα","","0.1237","0.0427","","","0.0748","0.0918","","","","","","0.896","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077684","10.864","0.002","11.46","0.003","8.481","0.002","109.37","0.01","110.76","0.01","97.5","0.01","893.9","0.4","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Bi O4 S -","- C19 H15 Bi O4 S -","- C38 H30 Bi2 O8 S2 -","2","1","","Murafuji, Toshihiro; Nagasue, Masahiro; Tashiro, Yoshihiro; Sugihara, Yoshikazu; Azuma, Nagao","Structural Characteristics of Aryloxybismuthanes Stabilized by Hypervalent Bond Formation. Synthesis, Incorporation of 4-Methoxyphenol through Hydrogen Bonding, and Crystal Supramolecularity","Organometallics","2000","19","6","1003","","10.1021/om9908534","","","0.7107","MoKα","","","0.04","","","","0.035","0.0524","","","","","1.6317","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077685","17.817","0.006","8.443","0.002","18.232","0.005","90","","117.71","0.02","90","","2428.1","1.3","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Bi O6 S -","- C26 H23 Bi O6 S -","- C104 H92 Bi4 O24 S4 -","4","1","","Murafuji, Toshihiro; Nagasue, Masahiro; Tashiro, Yoshihiro; Sugihara, Yoshikazu; Azuma, Nagao","Structural Characteristics of Aryloxybismuthanes Stabilized by Hypervalent Bond Formation. Synthesis, Incorporation of 4-Methoxyphenol through Hydrogen Bonding, and Crystal Supramolecularity","Organometallics","2000","19","6","1003","","10.1021/om9908534","","","0.7107","MoKα","","","0.0501","","","","0.0406","","","","","","1.275","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4077686","24.177","0.009","7.174","0.002","21.94","0.006","90","","108.32","0.02","90","","3613","2","298.2","","298.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Bi O4 S -","- C19 H15 Bi O4 S -","- C152 H120 Bi8 O32 S8 -","8","1","","Murafuji, Toshihiro; Nagasue, Masahiro; Tashiro, Yoshihiro; Sugihara, Yoshikazu; Azuma, Nagao","Structural Characteristics of Aryloxybismuthanes Stabilized by Hypervalent Bond Formation. Synthesis, Incorporation of 4-Methoxyphenol through Hydrogen Bonding, and Crystal Supramolecularity","Organometallics","2000","19","6","1003","","10.1021/om9908534","","","0.7107","MoKα","","","0.0545","","","","0.047","","","","","","1.724","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4077687","11.891","0.002","15.397","0.002","14.23","0.002","90","","107.098","0.003","90","","2490.2","0.6","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B F15 N O -","- C24 H16 B F15 N O -","- C96 H64 B4 F60 N4 O4 -","4","1","","Duchateau, Robbert; van Santen, Rutger A.; Yap, G. P. A.","Silica-Grafted Borato Cocatalysts for Olefin Polymerization Modeled by Silsesquioxane−Borato Complexes","Organometallics","2000","19","5","809","","10.1021/om990855o","","","0.71073","MoKα","","0.108","0.0547","","","0.1186","0.13","","","","","","1.031","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077688","17.05","0.003","20.919","0.004","20.046","0.004","90","","90.975","0.004","90","","7149","2","238","2","238","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H75 B F15 N O13 Si8 -","- C61 H75 B F15 N O13 Si8 -","- C244 H300 B4 F60 N4 O52 Si32 -","4","1","","Duchateau, Robbert; van Santen, Rutger A.; Yap, G. P. A.","Silica-Grafted Borato Cocatalysts for Olefin Polymerization Modeled by Silsesquioxane−Borato Complexes","Organometallics","2000","19","5","809","","10.1021/om990855o","","","0.71073","MoKα","","0.066","0.0426","","","0.1052","0.1114","","","","","","1.014","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077689","14.191","0.003","14.937","0.003","19.488","0.004","111.53","0.03","102.65","0.03","101.93","0.03","3556.9","1.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H62 F12 Hg2 N2 O9 P2 Pt2 S4 -","- C60 H62 F12 Hg2 N2 O9 P2 Pt2 S4 -","- C120 H124 F24 Hg4 N4 O18 P4 Pt4 S8 -","2","1","","Forniés, Juan; Martín, Antonio; Sicilia, Violeta; Villarroya, Pablo","Reactivity of [M(C∧P)(S2CNMe2)] [M = Pt, Pd; C∧P = CH2−C6H4−P(o-tolyl)2-κC,P] toward Mercury(II) Carboxylates. X-ray Molecular Structures of [Pt(C∧P)(S2CNMe2)(O2CCF3)Hg(O2CCF3)] and [Pd(S2CNMe2){μ-P(o-tolyl)2−C6H4−CH2−}(μ-O2CCH3)Hg(O2CCH3)]","Organometallics","2000","19","6","1107","","10.1021/om990856g","","","0.71073","MoKα","","0.0756","0.0427","","0.1189","0.0838","","","","1.073","1.132","1.132","","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077690","8.012","0.001","35.069","0.005","11.355","0.001","90","","101.31","0.01","90","","3128.5","0.7","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Hg N O5 P Pd S2 -","- C28 H32 Hg N O5 P Pd S2 -","- C112 H128 Hg4 N4 O20 P4 Pd4 S8 -","4","1","","Forniés, Juan; Martín, Antonio; Sicilia, Violeta; Villarroya, Pablo","Reactivity of [M(C∧P)(S2CNMe2)] [M = Pt, Pd; C∧P = CH2−C6H4−P(o-tolyl)2-κC,P] toward Mercury(II) Carboxylates. X-ray Molecular Structures of [Pt(C∧P)(S2CNMe2)(O2CCF3)Hg(O2CCF3)] and [Pd(S2CNMe2){μ-P(o-tolyl)2−C6H4−CH2−}(μ-O2CCH3)Hg(O2CCH3)]","Organometallics","2000","19","6","1107","","10.1021/om990856g","","","0.71073","MoKα","","0.0484","0.0297","","0.087","0.058","","","","1.102","1.134","1.134","","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077691","12.671","0.0002","11.974","0.0001","20.8219","0.0003","90","","99.093","0.0008","90","","3119.45","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 B F15 O Zr -","- C32 H22 B F15 O Zr -","- C128 H88 B4 F60 O4 Zr4 -","4","1","","Corradi, Marco M.; Pindado, Gerardo Jiménez; Sarsfield, Mark J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis, Fluxionality, and Propene Insertion Reactions of Zirconium Boryldiene Complexes with Sterically Undemanding Cp Ligands","Organometallics","2000","19","6","1150","","10.1021/om990859t","","","0.71073","MoKα","","0.0334","0.0307","","","0.0811","0.084","","","","","","1.038","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077692","12.722","","14.07","","16.014","","114.003","","96.616","","104.237","","2462.03","","298","","298","","","","","","","","?","5","P -1","-P 1","2","","","","- C33 H68 O14 S Sn6 -","- C33 H67 O14 S Sn6 -","- C66 H134 O28 S2 Sn12 -","2","1","","Eychenne-Baron, Christophe; Ribot, François; Steunou, Nathalie; Sanchez, Clément; Fayon, Franck; Biesemans, Monique; Martins, José C.; Willem, Rudolph","Reaction of Butyltin Hydroxide Oxide withp-Toluenesulfonic Acid: Synthesis, X-ray Crystal Analysis, and Multinuclear NMR Characterization of {(BuSn)12O14(OH)6}(4-CH3C6H4SO3)2","Organometallics","2000","19","10","1940","","10.1021/om990877a","","","0.71069","MoKα","","","0.0326","","","0.034","","","","","2.1619","2.1619","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4077693","13.207","0.004","8.781","0.004","13.844","0.003","90","","92.25","0.02","90","","1604.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Ge Si2 -","- C30 H54 Ge Si2 -","- C60 H108 Ge2 Si4 -","2","0.5","","Constantine, Steven P.; Cox, Hazel; Hitchcock, Peter B.; Lawless, Gerard A.","Parallel Metallocenes of Germanium, Tin, and Lead","Organometallics","2000","19","3","317","","10.1021/om990884z","","","0.71073","MoKα","","0.2088","0.0839","","0.2072","0.1549","","","","1.036","1.217","1.217","","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077694","12.3927","0.0002","9.7566","0.0001","24.2436","0.0005","90","","99.541","0.001","90","","2890.76","0.08","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 B P2 Ru Si -","- C27 H43 B P2 Ru Si -","- C108 H172 B4 P8 Ru4 Si4 -","4","1","","Dioumaev, Vladimir K.; Plössl, Karl; Carroll, Patrick J.; Berry, Donald H.","Access to Unsaturated Ruthenium Complexes via Phosphine Complexation with Triphenylborane: Synthesis and Structure of a Zwitterionic Arene Complex, (η6-Ph-BPh2H)Ru(PMe3)2(SiMe3)","Organometallics","2000","19","17","3374","","10.1021/om9908938","","","0.71069","MoKα","","0.0929","0.076","","0.132","0.1248","","","","1.229","","","1.253","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077695","8.1554","0.0003","21.5857","0.0006","29.8363","0.0009","90","","90","","90","","5252.4","0.3","298","2","298","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C25 H18 Co2 N3 O5 P -","- C25 H18 Co2 N3 O5 P -","- C200 H144 Co16 N24 O40 P8 -","8","2","","Castro, Jaume; Moyano, Albert; Pericàs, Miquel A.; Riera, Antoni; Maestro, Miguel Angel; Mahía, José","Tris(pyrrolyl)phosphine-Substituted Acetylene−Dicobaltcarbonyl Complexes: Syntheses, Structural Characterization, and Reactivity Studies","Organometallics","2000","19","9","1704","","10.1021/om990914y","","","0.71073","MoKα","","0.0895","0.0543","","","0.1197","0.1417","","","","","","1.008","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077696","9.434","0.002","13.136","0.004","16.781","0.005","100.34","0.03","103.86","0.02","108.44","0.02","1840.3","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Co2 N6 O4 P2 -","- C36 H30 Co2 N6 O4 P2 -","- C72 H60 Co4 N12 O8 P4 -","2","1","","Castro, Jaume; Moyano, Albert; Pericàs, Miquel A.; Riera, Antoni; Maestro, Miguel Angel; Mahía, José","Tris(pyrrolyl)phosphine-Substituted Acetylene−Dicobaltcarbonyl Complexes: Syntheses, Structural Characterization, and Reactivity Studies","Organometallics","2000","19","9","1704","","10.1021/om990914y","","","0.71073","MoKα","","0.1098","0.0552","","","0.1054","0.131","","","","","","1.026","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077697","10.926","0.0001","18.3592","0.0002","11.139","","90","","103.496","0.001","90","","2172.7","0.03","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Co2 N3 O5 P -","- C20 H14 Co2 N3 O5 P -","- C80 H56 Co8 N12 O20 P4 -","4","1","","Castro, Jaume; Moyano, Albert; Pericàs, Miquel A.; Riera, Antoni; Maestro, Miguel Angel; Mahía, José","Tris(pyrrolyl)phosphine-Substituted Acetylene−Dicobaltcarbonyl Complexes: Syntheses, Structural Characterization, and Reactivity Studies","Organometallics","2000","19","9","1704","","10.1021/om990914y","","","0.71073","MoKα","","0.0672","0.0394","","","0.0768","0.0877","","","","","","1.054","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077698","17.7686","0.0003","7.8881","0.0003","30.6968","0.001","90","","90","","90","","4302.5","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F3 Si -","- C24 H25 F3 Si -","- C192 H200 F24 Si8 -","8","1","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.0765","0.051","","","0.1073","0.1147","","","","","","1.08","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077699","10.9496","0.0004","12.0899","0.0005","25.4843","0.0009","90","","90","","90","","3373.6","0.2","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 F3 Si -","- C36 H49 F3.003 Si -","- C144 H196 F12.012 Si4 -","4","0.5","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.0672","0.0569","","","0.1433","0.1481","","","","","","1.106","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077700","8.8406","0.0018","11.157","0.002","21.144","0.004","88.282","0.005","82.74","0.003","71.166","0.003","1957.9","0.6","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 Si2 -","- C48 H50 Si2 -","- C96 H100 Si4 -","2","1","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.2757","0.1186","","","0.2471","0.3053","","","","","","0.897","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077701","13.7295","0.001","26.639","0.002","29.299","0.002","90","","97.287","0.003","90","","10629.3","1.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 F9 K3 Si2 -","- C54 H56 F9 K3 Si2 -","- C432 H448 F72 K24 Si16 -","8","2","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.0783","0.0458","","","0.0981","0.1048","","","","","","0.838","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077702","7.67","0.0004","23.433","0.002","11.522","0.0009","90","","91.74","0.005","90","","2069.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H58 B20 Cl O2 Sm -","- C28 H58 B20 Cl O2 Sm -","- C56 H116 B40 Cl2 O4 Sm2 -","2","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0553","0.0532","","0.1603","0.152","","","","0.997","0.997","0.997","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077703","22.254","0.005","20.737","0.004","24.968","0.005","90","","110.23","0.03","90","","10811","4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H134 B60 Sm2 -","- C67 H134 B60 Sm2 -","- C268 H536 B240 Sm8 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0997","0.0763","","","0.2096","0.2294","","","","","","1.07","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077704","9.8683","0.0003","28.436","0.0013","17.34","0.0007","90","","92.186","0.003","90","","4862.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H70 B20 Li O6 Sm -","- C32 H70 B20 Li O6 Sm -","- C128 H280 B80 Li4 O24 Sm4 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0516","0.0453","","","0.1207","0.1254","","","","","","1.088","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077705","9.91","0.002","28.006","0.006","17.547","0.004","90","","92.62","0.03","90","","4864.9","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H70 B20 Li O6 Yb -","- C32 H69 B20 Li O6 Yb -","- C128 H276 B80 Li4 O24 Yb4 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.044","0.0392","","","0.103","0.107","","","","","","0.926","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077706","13.565","0.003","13.608","0.006","23.802","0.006","100.73","0.02","99.06","0.01","104.76","0.02","4076","2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H58 B20 O2 Yb -","- C28 H58 B20 O2 Yb -","- C112 H232 B80 O8 Yb4 -","4","2","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0923","0.0839","","","0.2341","0.2472","","","","","","1.095","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077707","9.8703","0.0008","14.331","0.0018","17.309","0.002","90","","90","","90","","2448.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 B10 O2 Sm -","- C18 H36 B10 O2 Sm -","- C72 H144 B40 O8 Sm4 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0709","0.0606","","","0.1475","0.154","","","","","","1.066","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077708","9.853","0.002","14.272","0.003","17.056","0.003","90","","90","","90","","2398.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 B10 Er O2 -","- C18 H37 B10 Er O2 -","- C72 H148 B40 Er4 O8 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0952","0.0787","","","0.2235","0.2427","","","","","","1.17","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077709","6.787","0.001","11.384","0.001","31.124","0.001","90","","90.47","0.001","90","","2404.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Br N2 O2 Pt -","- C22 H33 Br N2 O2 Pt -","- C88 H132 Br4 N8 O8 Pt4 -","4","1","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.0381","0.0315","","0.0834","0.0769","","","","1.156","1.185","1.185","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077710","12.647","0.003","20.008","0.004","13.675","0.003","90","","104.72","0.03","90","","3346.8","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 Cl N4 O4 Pt -","- C31 H47 Cl N4 O4 Pt -","- C124 H188 Cl4 N16 O16 Pt4 -","4","1","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.0618","0.0379","","0.0874","0.0818","","","","0.968","1.067","1.067","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077711","22.1988","0.0003","14.4142","0.0002","24.3526","0.0004","90","","116.757","0.001","90","","6957.93","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Cl N3 O3 Pt -","- C33 H48 Cl N3 O3 Pt -","- C264 H384 Cl8 N24 O24 Pt8 -","8","2","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.0738","0.0492","","","0.1202","0.1369","","","","","","1.035","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077712","13.9808","0.0002","23.6523","0.0005","24.3279","0.0004","90","","103.257","0.001","90","","7830.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Cl5 N3 O2 Pt -","- C31 H44 Cl5 N3 O2 Pt -","- C248 H352 Cl40 N24 O16 Pt8 -","8","2","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.1303","0.0873","","","0.2207","0.2475","","","","","","1.093","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077713","17.0747","0.0002","14.756","0.0002","17.3898","0.0002","90","","103.678","0.001","90","","4257.18","0.09","292","2","292","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B F4 N3 O6 Pt -","- C40 H54 B F4 N3 O6 Pt -","- C160 H216 B4 F16 N12 O24 Pt4 -","4","1","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.0466","0.0372","","","0.0987","0.1075","","","","","","1.063","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077714","14.5655","0.0007","15.1038","0.0007","19.4029","0.0008","90","","93.965","0.003","90","","4258.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 B F4 N3 O3 Pt -","- C37 H51 B F4 N3 O3 Pt -","- C148 H204 B4 F16 N12 O12 Pt4 -","4","1","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.1039","0.0538","","","0.1396","0.1616","","","","","","1.022","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077715","12.4406","0.0004","22.7084","0.0011","13.4517","0.0005","90","","90.304","0.002","90","","3800.1","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H86 B2 F8 N6 O4 Pt2 -","- C68 H86 B2 F8 N6 O4 Pt2 -","- C136 H172 B4 F16 N12 O8 Pt4 -","2","0.5","","Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.","Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers","Organometallics","2000","19","9","1635","","10.1021/om990942g","","","0.71073","MoKα","","0.1047","0.0592","","","0.162","0.184","","","","","","1.036","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077716","15.1176","0.0019","16.2145","0.0019","16.543","0.002","116.141","0.002","98.869","0.002","99.836","0.003","3464","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H48 Mo O6 P2 -","- C105 H48 Mo O6 P2 -","- C210 H96 Mo2 O12 P4 -","2","1","","Song, Li-Cheng; Liu, Jin-Ting; Hu, Qing-Mei; Weng, Lin-Hong","Synthesis and Crystal Structures of Two Isomerically Pure Organotransition-Metal [60]Fullerene Derivatives Containing dppb Ligands: mer-M(CO)3(dppb)(η2-C60) (M = Mo, W)","Organometallics","2000","19","9","1643","","10.1021/om990975w","","","0.71073","MoKα","","0.0783","0.0511","","","0.1321","0.1476","","","","","","1.011","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077717","15.0228","0.0017","16.0718","0.0019","16.4052","0.0019","115.885","0.002","98.638","0.003","100.209","0.003","3389.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H48 O6 P2 W -","- C105 H47 O6 P2 W -","- C210 H94 O12 P4 W2 -","2","1","","Song, Li-Cheng; Liu, Jin-Ting; Hu, Qing-Mei; Weng, Lin-Hong","Synthesis and Crystal Structures of Two Isomerically Pure Organotransition-Metal [60]Fullerene Derivatives Containing dppb Ligands: mer-M(CO)3(dppb)(η2-C60) (M = Mo, W)","Organometallics","2000","19","9","1643","","10.1021/om990975w","","","0.71073","MoKα","","0.1233","0.0679","","","0.1309","0.1487","","","","","","0.999","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077718","24.7","0.001","9.7055","0.0005","18.5448","0.0004","90","","124.368","0.002","90","","3669.6","0.3","213","2","213","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","[tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)]-bis- (η2-diphenylacetylene)","","- C36 H20 F12 O8 Rh2 -","- C36 H20 F12 O8 Rh2 -","- C144 H80 F48 O32 Rh8 -","4","0.5","","Cotton, F. Albert; Dikarev, Evgeny V.; Petrukhina, Marina A.; Stiriba, Salah-Eddine","Studies of Dirhodium(II) Tetrakis(trifluoroacetate). 6. The First Structural Characterization of Axial Alkyne Complexes, Rh2(O2CCF3)4(Ph2C2)n(n= 1, 2): Diphenylacetylene as a Bifunctional Ligand","Organometallics","2000","19","7","1402","","10.1021/om9909800","","","0.71073","MoKα","","0.0379","0.0359","","0.0874","0.085","","","","1.027","1.034","1.034","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077719","9.303","0.0004","9.5423","0.0009","16.3049","0.0006","76.795","0.004","84.24","0.005","68.653","0.004","1312.23","0.15","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","catena-Poly{[tetrakis(μ-trifluoroacetato-κO,kO')dirhodium(II,II)]- -η2,-η2-diphenylacetylene}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C44 H20 F24 O16 Rh4 -","2","1","","Cotton, F. Albert; Dikarev, Evgeny V.; Petrukhina, Marina A.; Stiriba, Salah-Eddine","Studies of Dirhodium(II) Tetrakis(trifluoroacetate). 6. The First Structural Characterization of Axial Alkyne Complexes, Rh2(O2CCF3)4(Ph2C2)n(n= 1, 2): Diphenylacetylene as a Bifunctional Ligand","Organometallics","2000","19","7","1402","","10.1021/om9909800","","","0.71073","MoKα","","0.0411","0.0378","","0.0972","0.0935","","","","1.043","1.049","1.049","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077720","11.3157","0.0011","14.5575","0.0014","14.3683","0.0014","90","","108.11","0.002","90","","2249.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 F4 Hg2 O6 P2 -","- C12 H18 Cl2 F4 Hg2 O6 P2 -","- C48 H72 Cl8 F16 Hg8 O24 P8 -","4","1","","Tschinkl, Martin; Bachman, Robert E.; Gabbaï, François P.","Coordination of Dimethyl Methylphosphonate to the Bidentate Lewis Acid 1,2-Bis(chloromercurio)tetrafluorobenzene","Organometallics","2000","19","13","2633","","10.1021/om990987h","","","0.71073","MoKα","","0.063","0.0324","","","0.0613","0.0671","","","","","","0.948","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077721","31.4156","0.0003","7.7228","0.0002","20.696","0.0003","90","","105.479","0.0003","90","","4839.06","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Cr O5 -","- C29 H28 Cr O5 -","- C232 H224 Cr8 O40 -","8","1","","Matare, Gilbert J.; Foo, David M.; Kane, Kevin M.; Zehnder, Ralph; Wagener, Marion; Shapiro, Pamela J.; Concolino, Tom; Rheingold, Arnold L.","ansa-Chromocene Complexes. 1. Synthesis and Characterization of Cr(II) Carbonyl andtert-Butyl Isocyanide Complexes","Organometallics","2000","19","8","1534","","10.1021/om9909993","","","0.71073","MoKα","","0.0918","0.0762","","","0.2236","0.2385","","","","","","1.785","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077722","11.648","0.003","13.542","0.004","15.046","0.004","111.44","0.02","108.482","0.019","91.43","0.02","2068.3","1.1","295","2","295","2","","","","","","","chemical synthesys","9","P -1","-P 1","2","","2-(Diphenylphosphinopyridine)ChloroPlatinum(II) (μ-N,N'Dibenzyldithioxamidato κ-S,S Pt - κ-N,N Pd)(η^3^-Allyl)- Palladium(II).","","- C37 H34 Cl4 N3 O2 P Pd Pt S2 -","- C37 H34 Cl4 N3 O2 P Pd Pt S2 -","- C74 H68 Cl8 N6 O4 P2 Pd2 Pt2 S4 -","2","1","","Lanza, Santo; Bruno, Giuseppe; Nicolò, Francesco; Rotondo, Archimede; Scopelliti, Rosario; Rotondo, Enrico","Synthesis, Stereochemistry, and Solution Dynamics of Heterobimetallic Complexes with Metals Connected by Dithioxamides in κ-S,S‘ κ-N,N‘ Binucleation Mode. The Molecular Structure of [2-(Diphenylphosphino)pyridine-Pt-Cl-(μ-N,N‘- dibenzyldithioxbisamidato-κ-S,S‘-Pt-κ-N,N‘-Pd)(η3-allyl)Pd]","Organometallics","2000","19","13","2462","","10.1021/om991008o","","","0.71073","MoKα","","0.1023","0.051","","","0.113","0.1335","","","","","","0.791","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077723","10.44","0.002","13.114","0.003","15.172","0.003","80.508","0.012","80.789","0.014","75.243","0.014","1965.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 Au N4 O6 P2 -","- C44 H33 Au N4 O6 P2 -","- C88 H66 Au2 N8 O12 P4 -","2","1","","Vicente, José; Chicote, María-Teresa; Abrisqueta, María-Dolores; Jones, Peter G.","A Novel Type of Alkynylgold(I) Complex. Crystal and Molecular Structures of PPN[Au(Ar)(C⋮CH)] [Ar = C6F5, C6H2(NO2)3-2,4,6]","Organometallics","2000","19","13","2629","","10.1021/om9910322","","","0.71073","MoKα","","0.064","0.0379","","0.0627","0.0586","","","","0.843","0.936","0.936","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077724","9.9604","0.001","15.3873","0.0014","26.862","0.003","90","","92.738","0.008","90","","4112.3","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Au F5 N O P2 -","- C47 H37 Au F5 N O P2 -","- C188 H148 Au4 F20 N4 O4 P8 -","4","1","","Vicente, José; Chicote, María-Teresa; Abrisqueta, María-Dolores; Jones, Peter G.","A Novel Type of Alkynylgold(I) Complex. Crystal and Molecular Structures of PPN[Au(Ar)(C⋮CH)] [Ar = C6F5, C6H2(NO2)3-2,4,6]","Organometallics","2000","19","13","2629","","10.1021/om9910322","","","0.71073","MoKα","","0.0581","0.0314","","0.0602","0.0561","","","","0.891","1.009","1.009","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077725","20.8902","0.0015","34.532","0.002","7.5473","0.0006","90","","90","","90","","5444.5","0.7","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C62 H64 Cl2 N2 O2 Pt2 -","- C62 H64 Cl2 N2 O2 Pt2 -","- C248 H256 Cl8 N8 O8 Pt8 -","4","1","","Cave, Gareth W. V.; Fanizzi, Francesco P.; Deeth, Robert J.; Errington, William; Rourke, Jonathan P.","C−H Activation Induced by Water. Monocyclometalated to Dicyclometalated: C∧N∧C Tridentate Platinum Complexes","Organometallics","2000","19","7","1355","","10.1021/om9910423","","","0.71073","MoKα","","0.1432","0.0823","","","0.1714","0.2016","","","","","","1.004","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077726","7.3337","0.0006","19.1794","0.0012","18.9464","0.0012","90","","90","","90","","2664.9","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N O Pt -","- C18 H11 N O Pt -","- C144 H88 N8 O8 Pt8 -","8","2","","Cave, Gareth W. V.; Fanizzi, Francesco P.; Deeth, Robert J.; Errington, William; Rourke, Jonathan P.","C−H Activation Induced by Water. Monocyclometalated to Dicyclometalated: C∧N∧C Tridentate Platinum Complexes","Organometallics","2000","19","7","1355","","10.1021/om9910423","","","0.71073","MoKα","","0.0562","0.0351","","","0.0735","0.0836","","","","","","1.105","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077727","9.628","0.0006","22.9164","0.0009","9.0688","0.0005","90","","98.85","0.01","90","","1977.11","0.19","293","","293","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Au I2 N2 O -","- C14 H25 Au I2 N2 O -","- C56 H100 Au4 I8 N8 O4 -","4","1","","Contel, María; Nobel, Dominique; Spek, Anthony L.; van Koten, Gerard","Reactivity of [2,6-Bis((dimethylamino)methyl)phenyl]gold(I), an Unusual Intermolecularly Stabilized Bis(amino)aryl−Gold(I) Dimer, toward Alkyl Halides. X-ray Crystal Structures of Its Iodomethane and Methylene Diiodide Adducts†","Organometallics","2000","19","17","3288","","10.1021/om991043v","","","0.71073","MoKα","","0.0848","0.0484","","","0.1101","0.1247","","","","","","1.029","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077728","13.7685","0.0007","7.3762","0.0005","21.8875","0.0011","90","","118.352","0.003","90","","1956.2","0.2","150","","150","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Au I2 N3 -","- C15 H24 Au I2 N3 -","- C60 H96 Au4 I8 N12 -","4","1","","Contel, María; Nobel, Dominique; Spek, Anthony L.; van Koten, Gerard","Reactivity of [2,6-Bis((dimethylamino)methyl)phenyl]gold(I), an Unusual Intermolecularly Stabilized Bis(amino)aryl−Gold(I) Dimer, toward Alkyl Halides. X-ray Crystal Structures of Its Iodomethane and Methylene Diiodide Adducts†","Organometallics","2000","19","17","3288","","10.1021/om991043v","","","0.71073","MoKα","","0.0392","0.0281","","","0.0576","0.0605","","","","","","1.014","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4087353","14.913","0.004","17.559","0.006","16.333","0.005","90","","110.59","0.02","90","","4004","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 B N Ni P -","- C45 H61 B N Ni P -","- C180 H244 B4 N4 Ni4 P4 -","4","1","","Aresta, Michele; Dibenedetto, Angela; Quaranta, Eugenio; Lanfranchi, Maurizio; Tiripicchio, Antonio","Oxidative Addition of Allylammonium BPh4-to Nickel(0): Synthesis, Crystal Structure, Fluxional Behavior, and Catalytic Activity of Chiral [(η3-allyl)(NH3)(PCy3)Ni]BPh4","Organometallics","2000","19","21","4199","","10.1021/om000383+","","","1.54184","CuKα","","0.2544","0.0546","","","0.0948","0.1462","","","","","","0.748","","","","has coordinates,has disorder","215307","2020-10-21","18:00:00",""
"4089303","7.44","0.001","8.572","0.002","17.645","0.003","97.63","0.02","95.37","0.02","111.85","0.01","1022.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl5 O2 Re -","- C18 H16 Cl5 O2 Re -","- C36 H32 Cl10 O4 Re2 -","2","1","","Klahn, A. Hugo; Toro, Adriana; Oelckers, Beatriz; Buono-Core, Gonzalo E.; Manriquez, Victor; Wittke, Oscar","Intermolecular C−Cl Activation Reaction of (η5-C5R5)Re(CO)3(R = H, Me) with Pentachlorobenzene: X-ray Structure ofcis- andtrans-(η5-C5Me5)Re(CO)2(2,3,4,5-C6HCl4)Cl and Its Conversion to (η6-C5Me4CH2)Re(CO)2(2,3,4,5-C6HCl4)","Organometallics","2000","19","13","2580","","10.1021/om000032v","","","0.71073","MoKα","","0.0347","0.034","","","0.0899","0.0906","","","","","","1.077","","","","has coordinates","243605","2020-10-21","18:00:00",""
"4089304","8.581","0.002","13.252","0.003","18.272","0.004","90","","94.65","0.02","90","","2071","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl5 O2 Re -","- C18 H16 Cl5 O2 Re -","- C72 H64 Cl20 O8 Re4 -","4","1","","Klahn, A. Hugo; Toro, Adriana; Oelckers, Beatriz; Buono-Core, Gonzalo E.; Manriquez, Victor; Wittke, Oscar","Intermolecular C−Cl Activation Reaction of (η5-C5R5)Re(CO)3(R = H, Me) with Pentachlorobenzene: X-ray Structure ofcis- andtrans-(η5-C5Me5)Re(CO)2(2,3,4,5-C6HCl4)Cl and Its Conversion to (η6-C5Me4CH2)Re(CO)2(2,3,4,5-C6HCl4)","Organometallics","2000","19","13","2580","","10.1021/om000032v","","","0.71073","MoKα","","0.0287","0.0229","","","0.0561","0.0605","","","","","","1.108","","","","has coordinates","243605","2020-10-21","18:00:00",""
"4089713","11.143","0.002","14.934","0.002","9.254","0.002","94.49","0.01","91.32","0.02","83.02","0.01","1523.7","0.5","293.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 P3 Ru -","- C32 H43 P3 Ru -","- C64 H86 P6 Ru2 -","2","1","","Komiya, Sanshiro; Planas, Jose Giner; Onuki, Koji; Lu, Zhaobin; Hirano, Masafumi","Versatile Coordination Modes and Transformations of the Cyclooctatriene Ligand in Ru(C8H10)L3(L = Tertiary Phosphine)","Organometallics","2000","19","20","4051","","10.1021/om991014k","","","0.7107","MoKα","","","0.0427","","","","0.0389","","","","","","2.195","","","","has coordinates","244976","2020-10-21","18:00:00",""
"4331424","5.493","","5.493","","3.024","","90","","90","","120","","79.019","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Gd Ru3 B2","","- B2 Gd Ru3 -","- B2 Gd Ru3 -","- B2 Gd Ru3 -","1","0.0416667","","Uhl, E.; Sienko, M.J.; Rogl, P.; Hiebl, L.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331425","5.466","","5.466","","3.017","","90","","90","","120","","78.063","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ho Ru3 B2","","- B2 Ho Ru3 -","- B2 Ho Ru3 -","- B2 Ho Ru3 -","1","0.0416667","","Hiebl, K.; Sienko, M.J.; Uhl, E.; Rogl, P.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331427","5.439","","5.439","","3.016","","90","","90","","120","","77.268","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lu Ru3 B2","","- B2 Lu Ru3 -","- B2 Lu Ru3 -","- B2 Lu Ru3 -","1","0.0416667","","Hiebl, K.; Uhl, E.; Sienko, M.J.; Rogl, P.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331428","5.538","","5.538","","3.01","","90","","90","","120","","79.947","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Nd Ru3 B2","","- B2 Nd Ru3 -","- B2 Nd Ru3 -","- B2 Nd Ru3 -","1","0.0416667","","Sienko, M.J.; Uhl, E.; Hiebl, K.; Rogl, P.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331430","5.532","","5.532","","3.015","","90","","90","","120","","79.907","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Pr Ru3 B2","","- B2 Pr Ru3 -","- B2 Pr Ru3 -","- B2 Pr Ru3 -","1","0.0416667","","Rogl, P.; Sienko, M.J.; Uhl, E.; Hiebl, K.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331431","5.528","","5.528","","3.07","","90","","90","","120","","81.247","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ru3 Th B2","","- B2 Ru3 Th -","- B2 Ru3 Th -","- B2 Ru3 Th -","1","0.0416667","","Uhl, E.; Hiebl, K.; Rogl, P.; Sienko, R.J.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331432","5.454","","5.454","","3.003","","90","","90","","120","","77.36","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ru3 Yb B2","","- B2 Ru3 Yb -","- B2 Ru3 Yb -","- B2 Ru3 Yb -","1","0.0416667","","Sienko, R.J.; Hiebl, K.; Rogl, P.; Uhl, E.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331451","11.503","","11.382","","6.484","","90","","90","","90","","848.932","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Eu2 (B5 O9 Br)","","- B5 Br Eu2 O9 -","- B5 Br Eu2 O9 -","- B20 Br4 Eu8 O36 -","4","1","","Machida, K.I.; Kasai, N.; Yasuoka, N.; Shiokawa, J.; Adachi, G.Y.","Crystal structure of europium(II) bromoborate","Inorganic Chemistry","1980","19","","3807","3811","10.1021/ic50214a043","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343600","7.867","","7.963","","18.211","","90","","91.83","","90","","1140.24","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs4 Rh2 (C O3)4 (H2 O)2 (H2 O)6","","- C4 H16 Cs4 O20 Rh2 -","- C4 Cs4 O20 Rh2 -","- C8 Cs8 O40 Rh4 -","2","0.5","","Cotton, F.A.; Felthouse, T.R.","Structural characterization of two tetrakis(mue-carbonato) complexes of dirhodium(II)","Inorganic Chemistry","1980","19","","320","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","141274","2020-10-21","18:00:00",""
"4343601","9.798","","10.753","","12.906","","90","","107.98","","90","","1293.34","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cs4 Na2 Rh2 (C O3)4 Cl2 (H2 O)8","","- C4 H16 Cl2 Cs4 Na2 O20 Rh2 -","- C4 Cl2 Cs4 Na2 O20 Rh2 -","- C8 Cl4 Cs8 Na4 O40 Rh4 -","2","0.5","","Cotton, F.A.; Felthouse, T.R.","Structural characterization of two tetrakis(mue-carbonato) complexes of dirhodium(II)","Inorganic Chemistry","1980","19","","320","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","141275","2020-10-21","18:00:00",""
"4343633","7.35","","7.35","","6.045","","90","","90","","120","","282.814","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Sc Cl3","","- Cl3 Cs Sc -","- Cl3 Cs Sc -","- Cl6 Cs2 Sc2 -","2","0.0833333","","Poeppelmeier, K.R.; Corbett, J.D.; McMullen, T.P.; Torgeson, D.R.; Barnes, R.G.","Study of the crystal structures and nonstoichiometry in the system Cs3 Sc2 Cl9 - Cs Sc Cl3","Inorganic Chemistry","1980","19","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343746","19.869","","16.2","","13.282","","90","","109.24","","90","","4036.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Se10 (Sb F6)2","","- F12 Sb2 Se10 -","- F12 Sb2 Se10 -","- F96 Sb16 Se80 -","8","2","","Burns, R.C.; Gillespie, R.J.; Chan, W.L.; Slim, D.R.; Sawyer, J.F.; Luk, W.C.","Preparation and Characterization of Se10 (As F6)2, Se10 (Sb F6)2, and Se10 (Al Cl4)2 and Crystal Structure of Se10 (Sb F6)2","Inorganic Chemistry","1980","19","","1432","1439","","","","","","","","","","","","","","","","","","","","","","has coordinates","148618","2020-10-21","18:00:00",""
"4343747","7.536","","13.406","","27.226","","89.02","","91.58","","93.24","","2744.8","","","","","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","S19 (As F6)2","","- As2 F12 S18.64 -","- As2 F12 S18.64 -","- As8 F48 S74.56 -","4","","","Burns, R.C.; Gillespie, R.J.; Sawyer, J.F.","Preparation and Crystal Structure of S19 (As F6)2 and an ESR and Absorption Spectral Study of Solutions Containing the S19(2+) Cation and Related Systems","Inorganic Chemistry","1980","19","","1423","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343795","29.688","","23.327","","12.794","","90","","90","","90","","8860.25","","","","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","(N H4)23 (N H4 As4 W40 O140 Co2 (H2 O)2) (H2 O)16","","- As4 Co2 H132 N24 O158 W40 -","- As4 Co2 N24 O158 W40 -","- As8 Co4 N48 O316 W80 -","2","0.25","","Robert, F.; Leyrie, M.; Jeannin, Y.P.; Herve, G.; Teze, A.","Crystal Structure of Ammonium Dicobalto(II)-40-tungstotetraarsenate(III). Allosteric Effects in the Ligand","Inorganic Chemistry","1980","19","","1746","1752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343824","10.921","","7.052","","18.982","","90","","113.05","","90","","1345.18","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Br (C O)6 (B3 H8) Mn2","","- C6 H8 B3 Br Mn2 O6 -","- C6 H8 B3 Br Mn2 O6 -","- C24 H32 B12 Br4 Mn8 O24 -","4","1","","Chen, M.W.; Hoard, L.G.; Gaines, D.F.","Low-Temperature Crystal and Molecular Structure of mue-Bromo-hexacarbonyl(octahydrotriborato(1-))dimanganese Br (C O)6 (B3 H8) Mn2","Inorganic Chemistry","1980","19","","2989","2993","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343861","7.395","","19.417","","16.892","","90","","96.86","","90","","2408.14","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","((N H3)5 Cr (O H) Cr (N H3)4 (O H)) (S2 O6)2 (H2 O)3","","- Cr2 H35 N9 O17 S4 -","- Cr2 H31 N9 O17 S4 -","- Cr8 H124 N36 O68 S16 -","4","1","","Hodgson, D.J.; Pedersen, E.","Structural and Magnetic Characterization of the Chromium(III) Dimer cis-(Hydroxotetraamminechromium(III)-mue-hydroxo-pentaamm nechromium(III)) Dithionate Trihydrate, ((N H3)5 Cr (O H) Cr (N H3)4 (O H)) (S2 O6)2 (H2 O)3","Inorganic Chemistry","1980","19","","3116","3121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343863","22.051","","22.051","","22.051","","90","","90","","90","","10722.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb4 H8 (H2 W12 O40) (H2 O)18","","- O46 Rb3.9999 W12 -","- O46 Rb3.9999 W12 -","- O368 Rb31.9992 W96 -","8","0.0416667","","Jeannin, Y.P.; Launay, J.P.; Sedjadi, S.M.A.","Crystal Molecular Structure of the Six-Electron-Reduced Form of Metatungstate Rb4 H8 (H2 W12 O40) (H2 O)18 Occurrence of a Metal-Metal Bonded Subcluster in a Heteropolyanion Framework","Inorganic Chemistry","1980","19","","2933","2935","","","","","","","","","","","","","","","","","","","","","","has coordinates","151069","2020-10-21","18:00:00",""
"4343882","7.421","","8.626","","9.364","","60.64","","70.88","","70.88","","483.36","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs K Ni (C N)4","","- C4 Cs K N4 Ni -","- C4 Cs K N4 Ni -","- C8 Cs2 K2 N8 Ni2 -","2","1","","Musselman, R.L.; Stecher, L.C.; Watkins, S.","Crystal Structure and Spectra of Cesium Potassium Tetracyanonickelate(2-)","Inorganic Chemistry","1980","19","","3400","3403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343900","15.693","","9.235","","18.218","","90","","125.21","","90","","2157.19","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Fe2 (Mo O4)3","","- Fe2 Mo3 O12 -","- Fe2 Mo3 O12 -","- Fe16 Mo24 O96 -","8","4","","Rapposch, M.H.; Anderson, J.B.; Kostiner, E.","Crystal structure of ferric molybdate, Fe2 (Mo O4)3","Inorganic Chemistry","1980","19","","3531","3539","","","","","","","","","","","","","","","","","","","","","","has coordinates","151519","2020-10-21","18:00:00",""
"4343901","7.619","","24.706","","6.928","","90","","91.06","","90","","1303.87","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","U O2 (O C (N H2)2)3 S O4","","- C3 H12 N6 O9 S U -","- C3 H12 N6 O9 S U -","- C12 H48 N24 O36 S4 U4 -","4","1","","Ruben, H.; Spencer, B.; Templeton, D.H.","Structure of Tris(urea)dioxouranium(VI) Sulfate, U O2 (O C (N H2)2)3 S O4","Inorganic Chemistry","1980","19","","776","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344266","8.933","","10.723","","6.664","","78.86","","77.92","","87.91","","612.433","","","","","","","","","","","","","4","P -1","-P 1","2","","(La (N O3)3 (H2 O)5) (H2 O)","","- H12 La N3 O15 -","- La N3 O15 -","- La2 N6 O30 -","2","1","","Eriksson, B.; Valkonen, J.; Larsson, L.O.; Niinisto, L.","Crystal and Molecular Structure of the Undecacoordinate Complex Pentaaquatris(nitrato)lanthanum(III) Hydrate","Inorganic Chemistry","1980","19","","1207","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344291","9.5032","","5.9375","","15.3132","","90","","110.418","","90","","809.765","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K2 Se S2 O6","","- K2 O6 S2 Se -","- K2 O6 S2 Se -","- K8 O24 S8 Se4 -","4","1","","Foust, A.S.; Janickis, V.","The Selenotrithionate Dianion: Crystal and Molecular Structure of K2 Se S2 O6","Inorganic Chemistry","1980","19","","1063","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344292","5.6687","","18.6704","","9.5317","","90","","90.783","","90","","1008.71","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 Se S3 O6 (H2 O)","","- H2 K2 O7 S3 Se -","- K2 O7 S3 Se -","- K8 O28 S12 Se4 -","4","1","","Foust, A.S.; Maroy, K.; Janickis, V.","The Selenotetrathionate Dianion: Preparation and X-ray Structures of K2 Se S3 O6 * (H2 O) and (Co (en)2 Cl2)2 Se S3 O6","Inorganic Chemistry","1980","19","","1040","1043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344304","11.007","","11.007","","11.894","","90","","90","","120","","1247.95","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Cs Nb6 I11","","- Cs I11 Nb6 -","- Cs I11 Nb6 -","- Cs2 I22 Nb12 -","2","0.166667","","Imoto, H.; Corbett, J.D.","A More Reduced Nb6 I8 Cluster. Synthesis and Structure of Cs Nb6 I11 and Its Hydride Cs Nb6 I11 H","Inorganic Chemistry","1980","19","","1241","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344308","22.216","","13.323","","6.6236","","90","","90.15","","90","","1960.47","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Zr12 Al4 Cl51","","- Cl36 Zr12 -","- Cl36 Zr12 -","- Cl36 Zr12 -","1","0.125","","Kleppinger, J.; Wrazel, J.; Calabrese, J.C.; Larsen, E.M.","Preparation and Structure of a Reduced-State Zirconium Cluster Containing Triangular (Zr3 Cl6) Units","Inorganic Chemistry","1980","19","","3172","3175","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"4344335","4.596","","13.625","","5.824","","90","","98.8","","90","","360.409","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sn (H P O4)","","- H O4 P Sn -","- O4 P Sn -","- O16 P4 Sn4 -","4","1","","McDonald, R.C.; Eriks, K.","Crystallographic studies of tin(II) compounds. 2. Structures of tin(II) hydrogen phosphate and tin(II) phosphite, Sn H P O4 and Sn H P O3","Inorganic Chemistry","1980","19","","1237","1241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344336","4.685","","12.296","","6.165","","90","","99.7","","90","","350.068","","","","","","","","","","","","","4","I 1 c 1","I -2yc","9","","Sn H P O3","","- H O3 P Sn -","- O3 P Sn -","- O12 P4 Sn4 -","4","1","","McDonald, R.C.; Eriks, K.","Crystallographic Studies of Tin(II) Compounds. 2. Structures of Tin(II) Hydrogen Phosphate and Tin(II) Phosphite, Sn H P O4 and Sn H P O3","Inorganic Chemistry","1980","19","","1237","1241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4514032","14.3819","0.0006","8.1017","0.0003","23.2784","0.0009","90","","91.397","0.004","90","","2711.54","0.18","130","2","130","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 N12 O2 -","- C26 H32 N12 O2 -","- C104 H128 N48 O8 -","4","0.5","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.045","0.0365","","","0.0876","0.0945","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514033","10.7348","0.0005","9.1446","0.0003","11.7753","0.0006","90","","116.418","0.006","90","","1035.22","0.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N6 O -","- C9 H14 N6 O -","- C36 H56 N24 O4 -","4","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0624","0.0436","","","0.0933","0.1052","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514034","22.7944","0.0008","7.5374","0.0002","12.1001","0.0004","90","","102.072","0.004","90","","2032.95","0.12","130","0.1","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N6 O4 -","- C16 H30 N6 O4 -","- C64 H120 N24 O16 -","4","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0585","0.0414","","","0.0901","0.1003","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514035","15.8975","0.0006","12.9679","0.0003","19.3594","0.0009","90","","115.611","0.005","90","","3599","0.3","134","5","134","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H26 N6 O4 -","- C15 H26 N6 O4 -","- C120 H208 N48 O32 -","8","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0629","0.0427","","","0.0984","0.1104","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514036","11.5427","0.0004","8.6359","0.0003","14.6147","0.0005","90","","93.932","0.003","90","","1453.39","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N6 O -","- C15 H18 N6 O -","- C60 H72 N24 O4 -","4","1","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.0723","0.0502","","","0.1189","0.1346","","","","","","1.092","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514144","6.9311","0.0004","19.6495","0.0009","10.2901","0.0005","90","","104.068","0.005","90","","1359.4","0.12","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.1096","0.054","","","0.0957","0.1213","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514145","14.5469","0.0005","15.1175","0.0004","15.4719","0.0004","85.09","0.002","61.986","0.003","89.869","0.002","2990.01","0.17","114","2","114","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 N6 O3 -","- C13 H20 N6 O3 -","- C104 H160 N48 O24 -","8","4","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.7107","MoKα","","0.1075","0.0984","","","0.235","0.2388","","","","","","1.165","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514146","9.3572","0.0014","14.6849","0.0012","12.2349","0.0017","90","","110.771","0.017","90","","1571.9","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N6 O -","- C17 H20 N6 O -","- C68 H80 N24 O4 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.1515","0.1095","","","0.2831","0.321","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514147","9.5857","0.0002","14.8105","0.0002","13.4801","0.0002","90","","110.159","0.002","90","","1796.52","0.06","122.1","0.3","122.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O3 -","- C18 H22 N6 O3 -","- C72 H88 N24 O12 -","4","1","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","1.5418","CuKα","","0.0386","0.0339","","","0.1019","0.1108","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514148","12.0138","0.0003","11.5538","0.0002","16.1111","0.0004","90","","103.49","0.003","90","","2174.6","0.09","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H15 N5 O -","- C9 H15 N5 O -","- C72 H120 N40 O8 -","8","2","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","0.71073","MoKα","","0.073","0.0545","","","0.129","0.1412","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514149","11.5385","0.0004","13.156","0.0004","17.7901","0.0004","77.4","0.002","89.452","0.002","64.277","0.003","2363.18","0.14","130.05","0.1","130.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H17 N5 O -","- C10 H17 N5 O -","- C80 H136 N40 O8 -","8","4","","Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.","ACS combinatorial science","2017","19","5","343","350","10.1021/acscombsci.7b00033","","","1.5418","CuKα","","0.0456","0.039","","","0.1","0.1059","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514150","11.3633","0.0009","12.479","0.001","16.6341","0.0017","86.351","0.007","72.539","0.008","78.203","0.007","2202.5","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35.94 N10 O6 -","- C38 H35.935 N10 O6 -","- C76 H71.87 N20 O12 -","2","1","","Rao, H. Surya Prakash; Adigopula, Lakshmi Narayana; Ramadas, Krishna","One-Pot Synthesis of Densely Substituted Pyrazolo[3,4-b]-4,7-dihydropyridines.","ACS combinatorial science","2017","19","5","279","285","10.1021/acscombsci.6b00156","","","0.71073","MoKα","","0.2104","0.1598","","","0.4485","0.4731","","","","","","1.492","","","","has coordinates,has disorder","197219","2020-10-21","18:00:00",""
"4514156","8.7645","0.0003","11.9515","0.0005","15.6337","0.0008","111.859","0.004","95.746","0.003","91.269","0.003","1509.1","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C72 H72 N4 O4 -","2","1","","Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.","ACS combinatorial science","2017","19","6","386","396","10.1021/acscombsci.7b00027","","","1.54184","CuKα","","0.056","0.046","","","0.1287","0.1415","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514157","12.4654","0.0002","14.3184","0.0003","14.1523","0.0003","90","","93.932","0.001","90","","2520.02","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 Cu N2 O2 -","- C28 H34 Cu N2 O2 -","- C112 H136 Cu4 N8 O8 -","4","2","","Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds.","ACS combinatorial science","2017","19","6","386","396","10.1021/acscombsci.7b00027","","","0.71073","MoKα","","0.0719","0.0455","","","0.1307","0.1711","","","","","","1.161","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514186","10.6055","0.0004","14.1632","0.0005","20.1734","0.0008","90","","90","","90","","3030.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5'-amino-1,2'-dimethyl-1',2,3'-trioxo-1',2',3',7a'-tetrahydrospiro [indoline-3,7'-pyrrolo[1,2-<i>c</i>]imidazole]-6'-carbonitrile","","- C16 H13 N5 O3 -","- C16 H13 N5 O3 -","- C128 H104 N40 O24 -","8","1","","Rajarathinam, Balakrishnan; Kumaravel, Kandhasamy; Vasuki, Gnanasambandam","""In Water"": Organocatalyzed Diastereoselective Multicomponent Reactions toward 2-Azapyrrolizidine Alkaloid Scaffolds.","ACS combinatorial science","2017","19","7","455","463","10.1021/acscombsci.7b00038","","","0.7107","MoKα","","0.1072","0.0532","","","0.1116","0.1354","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514191","9.67","0.002","7.9813","0.0016","25.577","0.006","90","","97.063","0.005","90","","1959","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","","Hsu, Wei-Shun; Tsai, Min-Huan; Barve, Indrajeet J.; Yellol, Gorakh S.; Sun, Chung-Ming","Synthesis of Aminofuran-Linked Benzimidazoles and Cyanopyrrole-Fused Benzimidazoles by Condition-Based Skeletal Divergence.","ACS combinatorial science","2017","19","7","492","499","10.1021/acscombsci.7b00052","","","0.71073","MoKα","","0.1282","0.0528","","","0.1144","0.1431","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514227","10.579","0.002","11.195","0.002","11.534","0.002","86.716","0.003","76.764","0.003","88.392","0.003","1327.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(tert-butyl)-2-(7-methoxy-1-oxo-9-phenyl-1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-2-(4-methoxyphenyl)acetamide","","- C31 H31 N3 O4 -","- C31 H31 N3 O4 -","- C62 H62 N6 O8 -","2","1","","Ghoshal, Anirban; Yugandhar, Doddapaneni; Nanubolu, Jagadeesh Babu; Srivastava, Ajay Kumar","An Efficient One-Pot Synthesis of Densely Functionalized Fused-Quinolines via Sequential Ugi4CC and Acid-Mediated Povarov-Type Reaction.","ACS combinatorial science","2017","19","9","600","608","10.1021/acscombsci.7b00095","","","0.71073","MoKα","","0.0515","0.0418","","","0.1087","0.1162","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514287","9.06","0.002","10.055","0.002","10.287","0.003","81.458","0.004","72.948","0.004","86.293","0.004","885.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 5-chloro-2-oxo-5',6',7',7a'tetrahydrospiro[indoline-3,3'-pyrrolizine]-1',2'-dicarboxylate","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C36 H34 Cl2 N4 O10 -","2","1","","Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.","1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.","ACS combinatorial science","2017","19","10","633","639","10.1021/acscombsci.7b00044","","","0.71073","MoKα","","0.0618","0.0554","","","0.1512","0.1566","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514288","15.58","0.03","10.475","0.015","35.3","0.05","90","","99.07","0.03","90","","5689","16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 5-chloro-5'-isobutyl-2-oxo-1-(2-oxo-2-phenylethyl)-1',5'-dihydrospiro[indoline-3,2'-pyrrole]-3',4'-dicarboxylate","","- C29 H31 Cl N2 O6 -","- C29 H31 Cl N2 O6 -","- C232 H248 Cl8 N16 O48 -","8","2","","Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M.","1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties.","ACS combinatorial science","2017","19","10","633","639","10.1021/acscombsci.7b00044","","","0.71073","MoKα","","0.1216","0.0695","","","0.1521","0.1764","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514314","8.682","0.0007","11.0069","0.0009","11.5211","0.0011","110.581","0.003","105.689","0.002","96.208","0.001","966.76","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C44 H44 Cl2 N2 O10 -","2","1","","Lin, Wei; Zheng, Yong-Xiang; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Microwave-Assisted Regioselective Synthesis of 3-Functionalized Indole Derivatives via Three-Component Domino Reaction.","ACS combinatorial science","2017","19","11","708","713","10.1021/acscombsci.7b00126","","","0.71073","MoKα","","0.3532","0.2263","","","0.526","0.5961","","","","","","1.48","","","","has coordinates","203926","2020-10-21","18:00:00",""
"4515226","17.598","0.0005","18.303","0.0005","13.82","0.0004","90","","113.671","0.001","90","","4076.9","0.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","catena-{[Cu2(amp)4Cl][Cr(ox)3].6H2O","","","- C30 H40 Cl Cr Cu2 N8 O18 -","- C30 H40 Cl Cr Cu2 N8 O18 -","- C120 H160 Cl4 Cr4 Cu8 N32 O72 -","4","0.5","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.054","0.0381","","","0.1069","0.1185","","","","","","1.069","","","","has coordinates","220337","2020-10-21","18:00:00",""
"4515227","17.568","0.005","16.601","0.005","13.578","0.005","90","","68.486","0.005","90","","3684","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","catena-{[Cu2(amp)4Cl][Cr(ox)3].H2O","","","- C30 H34 Cl Cr Cu2 N8 O13 -","- C30 H34 Cl Cr Cu2 N8 O13 -","- C120 H136 Cl4 Cr4 Cu8 N32 O52 -","4","1","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.0849","0.0604","","","0.1114","0.1272","","","","","","1.108","","","","has coordinates","220338","2020-10-21","18:00:00",""
"4515228","17.5565","0.0011","16.4806","0.0013","13.67","0.0013","90","","68.052","0.002","90","","3668.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","catena-{[Cu2(amp)4Cl][Fe(ox)3]}.H2O","","","- C30 H34 Cl Cu2 Fe N8 O13 -","- C30 H34 Cl Cu2 Fe N8 O13 -","- C120 H136 Cl4 Cu8 Fe4 N32 O52 -","4","1","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.107","0.0459","","","0.0917","0.1147","","","","","","1.118","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515229","17.625","0.0007","18.391","0.0007","13.878","0.0006","90","","114.032","0.002","90","","4108.5","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","catena-{[Cu2(amp)4Cl][Fe(ox)3].6H2O","","","- C30 H40 Cl Cu2 Fe N8 O18 -","- C30 H40 Cl Cu2 Fe N8 O18 -","- C120 H160 Cl4 Cu8 Fe4 N32 O72 -","4","0.5","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.0547","0.0391","","","0.1131","0.1232","","","","","","1.047","","","","has coordinates","220340","2020-10-21","18:00:00",""
"4516795","14.612","0.003","31.468","0.006","12.38","0.003","90","","90.29","0.03","90","","5692","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O4 -","- C34 H34 N2 O4 -","- C272 H272 N16 O32 -","8","2","","Asadi, Beheshteh; Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Amiri Rudbari, Hadi","Diastereoselective Synthesis of Symmetrical and Unsymmetrical Tetrahydropyridines Catalyzed by Bi(III) Immobilized on Triazine Dendrimer Stabilized Magnetic Nanoparticles.","ACS combinatorial science","2017","19","6","356","364","10.1021/acscombsci.6b00180","","","0.71073","MoKα","","0.1688","0.0688","","","0.1552","0.1822","","","","","","0.829","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516796","10.4094","0.0005","11.0413","0.0005","23.4593","0.0011","90","","93.015","0.002","90","","2692.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Z)-5''-(2-Chlorobenzylidene)-7'-(2-chlorophenyl)-7',7a'-dihydro- 1'H,2''H,3'H-dispiro[indoline-3,5'-pyrrolo[1,2-c]thiazole-6',3''- thiophene]-2,4'' (5''H)-dione","(Z)-5''-(2-Chlorobenzylidene)-7'-(2-chlorophenyl)-7',7a'-dihydro- 1'H,2''H,3'H-dispiro[indoline-3,5'-pyrrolo[1,2-c]thiazole-6',3''- thiophene]-2,4'' (5''H)-dione","","- C29 H22 Cl2 N2 O2 S2 -","- C29 H22 Cl2 N2 O2 S2 -","- C116 H88 Cl8 N8 O8 S8 -","4","1","","Anusha Rani, Mani; Vivek Kumar, Sundaravel; Malathi, Karuppiah; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Ranjith Kumar, Raju","A One-Pot Multicomponent 1,3-Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Dihydrothiophenone-Engrafted Dispiro Hybrid Heterocycles.","ACS combinatorial science","2017","19","5","308","314","10.1021/acscombsci.6b00186","","","0.71073","MoKα","","0.0772","0.0514","","","0.1908","0.2402","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516797","15.978","0.002","11.3704","0.0014","19.168","0.002","90","","90","","90","","3482.4","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","","Yao, Po-Hsin Eric; Kumar, Sunil; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Diversity-Oriented Synthesis of Coumarin-Linked Benzimidazoles via a One-Pot, Three-Step, Intramolecular Knoevenagel Cyclization.","ACS combinatorial science","2017","19","4","271","275","10.1021/acscombsci.7b00004","","","0.71073","MoKα","","0.0592","0.0446","","","0.1159","0.1271","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517227","10.0282","0.0006","25.0624","0.0016","10.6559","0.0007","90","","94.416","0.002","90","","2670.2","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0383","0.0366","","","0.0929","0.0946","","","","","","1.063","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517228","28.5547","0.0011","16.6794","0.0006","11.62","0.0004","90","","98.99","0.001","90","","5466.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0426","0.0417","","","0.1078","0.109","","","","","","1.055","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517229","11.6101","0.0003","16.6814","0.0005","28.2286","0.0008","90","","90","","90","","5467.1","0.3","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0519","0.0475","","","0.1217","0.1266","","","","","","1.026","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517230","9.9199","0.0005","11.8932","0.0005","11.895","0.0006","90","","101.879","0.003","90","","1373.31","0.11","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C72 H36 O16 P4 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0447","0.042","","","0.1068","0.1099","","","","","","1.025","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517231","12.0382","0.0008","7.4286","0.0005","29.694","0.002","90","","90","","90","","2655.4","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","phosphangulene oxide : phosphangulene 0.50:0.50","","- C18 H9 O3.5 P -","- C18 H9 O3.504 P -","- C144 H72 O28.032 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0646","0.0624","","","0.162","0.1636","","","","","","1.152","","","","has coordinates,has Fobs","245439","2020-10-21","18:00:00",""
"4517232","10.1281","0.0008","25.426","0.002","10.6714","0.0008","90","","93.978","0.004","90","","2741.4","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phosphangulene oxyde : phosphangulene sulfide 0.71:0.29","","","- C18 H9 O3.71 P S0.29 -","- C18 H9 O3.7085 P S0.2915 -","- C144 H72 O29.668 P8 S2.332 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0822","0.0746","","","0.165","0.1694","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","245440","2020-10-21","18:00:00",""
"4517233","14.4805","0.0005","16.6226","0.0006","11.7323","0.0004","90","","101.205","0.002","90","","2770.18","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.91:0.09","","","- C18 H9 O3.72 P S0.28 -","- C18 H9 O3.7255 P S0.2745 -","- C144 H72 O29.804 P8 S2.196 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0487","0.0405","","","0.0992","0.1038","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","245441","2020-10-21","18:00:00",""
"4517234","14.5033","0.0005","16.6611","0.0006","11.7398","0.0004","90","","101.117","0.001","90","","2783.58","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.94:0.06","","","- C18 H9 O3.65 P S0.35 -","- C18 H9 O3.6475 P S0.3525 -","- C144 H72 O29.18 P8 S2.82 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0381","0.035","","","0.0855","0.0877","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","245442","2020-10-21","18:00:00",""
"4517235","15.0217","0.0006","13.5252","0.0005","14.4528","0.0005","90","","93.393","0.002","90","","2931.25","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0456","0.032","","","0.0745","0.0811","","","","","","1.056","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517236","14.1307","0.0008","6.9551","0.0004","29.079","0.002","90","","90.359","0.002","90","","2857.8","0.3","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0647","0.0632","","","0.1756","0.1774","","","","","","1.057","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517237","12.085","0.0006","7.4412","0.0004","29.722","0.0016","90","","90","","90","","2672.8","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0561","0.0491","","","0.1238","0.131","","","","","","1.088","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517238","12.0473","0.0004","7.4364","0.0003","29.7151","0.001","90","","90","","90","","2662.13","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.70:0.30","","","- C18 H9 O3.7 P -","- C18 H9 O3.704 P -","- C144 H72 O29.632 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0493","0.0466","","","0.1205","0.1225","","","","","","1.114","","","","has coordinates,has Fobs","245446","2020-10-21","18:00:00",""
"4517239","12.0696","0.0005","7.4375","0.0003","29.7131","0.0012","90","","90","","90","","2667.28","0.19","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.85:0.15","","","- C18 H9 O3.85 P -","- C18 H9 O3.854 P -","- C144 H72 O30.832 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0476","0.0376","","","0.0851","0.0907","","","","","","1.06","","","","has coordinates,has Fobs","245447","2020-10-21","18:00:00",""
"4517240","14.502","0.0004","16.6652","0.0005","11.7455","0.0004","90","","101.037","0.001","90","","2786.13","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.63:0.37","","","- C18 H9 O3.63 P S0.37 -","- C18 H9 O3.627 P S0.373 -","- C144 H72 O29.016 P8 S2.984 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.035","0.0339","","","0.0846","0.0856","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","245448","2020-10-21","18:00:00",""
"4517241","14.7446","0.0003","13.0971","0.0003","14.9443","0.0003","90","","90","","90","","2885.92","0.11","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","phosphangulene sulfide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-sulfide","","- C18 H9 O3 P S -","- C18 H9 O3 P S -","- C144 H72 O24 P8 S8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0306","0.0294","","","0.0847","0.0857","","","","","","1.051","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517246","15.7484","0.0005","13.2732","0.0004","42.7568","0.0013","90","","98.284","0.002","90","","8844.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene chlorobenzene solvate","","- C162 H23 Cl O6 P2 Se2 -","- C162 H23 Cl O6 P2 Se2 -","- C648 H92 Cl4 O24 P8 Se8 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.2034","0.1393","","","0.333","0.3816","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245505","2020-10-21","18:00:00",""
"4517247","13.0971","0.0004","14.1629","0.0004","13.3737","0.0004","90","","118.41","0.0011","90","","2181.95","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene carbon disulfide","","- C79 H9 O3 P S2 Se -","- C79 H9 O3 P S2 Se -","- C158 H18 O6 P2 S4 Se2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0688","0.0648","","","0.1768","0.1824","","","","","","1.081","","","","has coordinates,has Fobs","245506","2020-10-21","18:00:00",""
"4517248","13.0898","0.0008","14.0998","0.0009","13.3595","0.0008","90","","118.467","0.003","90","","2167.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene carbon disulfide","","- C79 H9 O3 P S3 -","- C79 H9 O3 P S3 -","- C158 H18 O6 P2 S6 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0657","0.0563","","","0.1201","0.1286","","","","","","1.134","","","","has coordinates,has Fobs","245507","2020-10-21","18:00:00",""
"4517249","18.3952","0.0009","13.3563","0.0006","39.9166","0.0019","90","","94.304","0.002","90","","9779.5","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sesquikis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene methanol solvate","","","- C349 H58 O25 P6 -","- C349.24 H58 O25 P6 -","- C698.48 H116 O50 P12 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1439","0.128","","","0.3899","0.4139","","","","","","1.932","","","","has coordinates,has disorder","245508","2020-10-21","18:00:00",""
"4517250","10.0466","0.0003","22.0937","0.0006","13.3309","0.0004","90","","96.709","0.001","90","","2938.75","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene toluene solvate","","- C103 H26 O8 P2 -","- C103 H26 O8 P2 -","- C206 H52 O16 P4 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0718","0.0657","","","0.1638","0.1703","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","245509","2020-10-21","18:00:00",""
"4517251","10.0298","0.0004","22.4623","0.0008","10.197","0.0004","90","","96.888","0.002","90","","2280.73","0.15","105","","105","","","","","","","","","5","P 1 n 1","P -2yac","7","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one C60 fullerene chlorobenzene solvate","","- C84 H14 Cl O4 P -","- C84 H14 Cl O4 P -","- C168 H28 Cl2 O8 P2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1105","0.0785","","","0.1937","0.2189","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","245510","2020-10-21","18:00:00",""
"4517252","27.1567","0.0014","13.6785","0.0007","27.0976","0.0013","90","","119.191","0.0019","90","","8787.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene 1,2-xylene solvate","","- C138 H57 O12 P3 -","- C138 H57 O12 P3 -","- C552 H228 O48 P12 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1291","0.1029","","","0.2865","0.3189","","","","","","1.069","","","","has coordinates,has disorder","245511","2020-10-21","18:00:00",""
"4517253","13.0855","0.0006","13.4725","0.0007","15.6662","0.0007","76.899","0.003","87.109","0.003","61.864","0.002","2367","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene 1,3-xylene solvate","","- C86 H19 O3 P S -","- C86 H19 O3 P S -","- C172 H38 O6 P2 S2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0951","0.0653","","","0.1272","0.1415","","","","","","1.08","","","","has coordinates,has Fobs","245512","2020-10-21","18:00:00",""
"4517254","13.2521","0.0015","14.4547","0.0015","25.261","0.003","90","","90.153","0.006","90","","4838.9","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12Λ5-phosphadibenzo[cd,mn]pyrene-12c-thione C70 fullerene carbon disulfide","","- C89 H9 O3 P S3 -","- C89 H9 O3 P S3 -","- C356 H36 O12 P4 S12 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1001","0.0926","","","0.2402","0.247","","","","","","1.068","","","","has coordinates,has Fobs","245513","2020-10-21","18:00:00",""
"4517255","8.3259","0.0002","9.6536","0.0002","10.0614","0.0002","109.144","0.001","95.857","0.001","106.722","0.001","714.21","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) monohydrate","6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) monohydrate","","- C12 H14 N10 O -","- C12 H14 N10 O -","- C24 H28 N20 O2 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0443","0.0387","","","0.0968","0.1019","","","","","","1.078","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517256","19.3777","0.0007","9.5631","0.0003","18.9111","0.0007","90","","90","","90","","3504.4","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C13 H17 N11 O S -","- C13 H17 N11 O S -","- C104 H136 N88 O8 S8 -","8","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0303","0.03","","","0.0796","0.08","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","245515","2020-10-21","18:00:00",""
"4517257","8.6367","0.0003","15.6587","0.0005","19.3519","0.0007","80.649","0.001","83.362","0.001","74.699","0.001","2483.54","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C16 H28 N12 O3 S3 -","- C16 H28 N12 O3 S3 -","- C64 H112 N48 O12 S12 -","4","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0409","0.0402","","","0.1089","0.1098","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","245516","2020-10-21","18:00:00",""
"4517258","16.8304","0.0006","14.237","0.0005","18.0925","0.0007","90","","90","","90","","4335.2","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C14 H22 N12 O2 S2 -","- C14 H22 N12 O2 S2 -","- C112 H176 N96 O16 S16 -","8","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0433","0.043","","","0.1192","0.1196","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245517","2020-10-21","18:00:00",""
"4517259","7.9895","0.0002","11.89","0.0004","12.153","0.0004","98.304","0.001","92.058","0.001","108.035","0.001","1082.25","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) monohydrate","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) monohydrate","","- C16 H16 F6 N10 O5 -","- C16 H16 F6 N10 O5 -","- C32 H32 F12 N20 O10 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0561","0.0424","","","0.1009","0.11","","","","","","1.04","","","","has coordinates,has Fobs","245518","2020-10-21","18:00:00",""
"4517260","8.8984","0.0004","17.106","0.0007","10.7576","0.0004","90","","91.727","0.002","90","","1636.74","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) methanol solvate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) methanol solvate","","- C13 H19 N11 O2 -","- C13 H19 N11 O2 -","- C52 H76 N44 O8 -","4","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0484","0.0462","","","0.122","0.1247","","","","","","1.045","","","","has coordinates,has Fobs","301843","2025-08-21","01:58:47",""
"4517261","15.5811","0.0003","9.7851","0.0002","30.4229","0.0005","90","","90","","90","","4638.36","0.15","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","","- C32 H54 N22 O6 S5 -","- C32 H54 N22 O6 S5 -","- C128 H216 N88 O24 S20 -","4","0.5","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0604","0.0595","","","0.1524","0.153","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","245520","2020-10-21","18:00:00",""
"4517262","4.8558","0.0002","13.2314","0.0005","17.8274","0.0006","78.822","0.002","85.849","0.001","82.793","0.002","1113.43","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) dihydrate","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) dihydrate","","- C15 H17 F6 N11 O6 -","- C15 H17 F6 N11 O6 -","- C30 H34 F12 N22 O12 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0445","0.0415","","","0.1155","0.1194","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","245521","2020-10-21","18:00:00",""
"5000288","21.4725","0.0008","8.8163","0.0004","14.0146","0.0006","90","","90","","90","","2653.08","0.19","115","2","115","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C21 H50 Cl N O P2 Ru -","- C21 H49 Cl N O P2 Ru -","- C84 H196 Cl4 N4 O4 P8 Ru4 -","4","0.5","","Coalter, Joseph N.; Huffman, John C.; Caulton, Kenneth G.","Cleavage of H-C(sp^2^) and C(sp^2^)-X Bonds (X = Alkyl, Aryl, OR, NR~2~): Facile Decarbonylation, Isonitrile Abstraction, or Dehydrogenation of Aldehydes, Esters, Amides, Amines, and Imines by [RuHCl(P^i^Pr~3~)~2~]~2~","Organometallics","2000","19","18","3569","3578","10.1021/om000390y","","","0.71073","MoKα","","","0.0193","","","","0.0225","","","","","","0.6094","","","","has coordinates,has disorder","176755","2020-10-21","18:00:00",""
"5000289","39.3311","0.0013","9.0754","0.0003","16.5133","0.0006","90","","99.6192","0.0012","90","","5811.5","0.3","115","2","115","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Cl N P2 Ru -","- C26 H52 Cl N P2 Ru -","- C208 H416 Cl8 N8 P16 Ru8 -","8","1","","Coalter, Joseph N.; Huffman, John C.; Caulton, Kenneth G.","Cleavage of H-C(sp^2^) and C(sp^2^)-X Bonds (X = Alkyl, Aryl, OR, NR~2~): Facile Decarbonylation, Isonitrile Abstraction, or Dehydrogenation of Aldehydes, Esters, Amides, Amines, and Imines by [RuHCl(P^i^Pr~3~)~2~]~2~","Organometallics","2000","19","18","3569","3578","10.1021/om000390y","","","0.71073","MoKα","","","0.0242","","","","0.0239","","","","","","0.726","","","","has coordinates,has disorder","176755","2020-10-21","18:00:00",""
"5000399","10.66","0.008","16.048","0.015","8.225","0.005","91.49","0.05","105.33","0.04","72.87","0.05","1294.8","1.8","103.15","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H38 B18 Br4 Co N -","- C12 H18 B18 Br4 Co N -","- C24 H36 B36 Br8 Co2 N2 -","2","1","","Santos, Erich C.; Pinkerton, Anthony B.; Kinkead, Scott A.; Hurlburt, Paul K.; Jasper, Steve A.; Sellers, Christopher W.; Huffman, John C.; Todd, Lee J.","Syntheses of nido-9,11-X~2~-7,8-C~2~B~9~H~10~- anions (X=Cl, Br or I) and the synthesis and structural characterization of N(C~2~H~5~)~4~[commo-3,3'-Co(4,7-Br~2~-3,1,2-CoC~2~B~9~H~9~)~2~]","Polyhedron","2000","19","15","1777","1781","10.1016/S0277-5387(00)00461-7","","","0.71069","MoKα","","","1.6022","","","","0.0482","","","","","","1.8596","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"6000180","8.159","","9.485","","11.997","","110","","99.22","","100.57","","832.27","","","","","","","","","","","","","5","P -1","","","","","","- C12 H8 N2 S6 Zn -","","","","","","Chen, Z. R.; Li, J. H.; Li, H. J.; Su, W. P.; Cao, R.","Synthesis and crystal structure of compound [ZnS6(C12H8N2)]","Chinese Journal of Structural Chemistry","2000","19","","11","14","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000647","8.689","","12.339","","8.565","","90","","90","","90","","918.28","","","","","","","","","","","","","3","P n m a","","","","","","- Cs I3 Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000648","10.381","","4.686","","17.256","","90","","90","","90","","839.42","","","","","","","","","","","","","3","P n m a","","","","","","- I3 Rb Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000649","4.576","","15.133","","11.679","","90","","90","","90","","808.75","","","","","","","","","","","","","3","C m c m","","","","","","- I3 K Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000650","14.1714","","14.1714","","17.47","","90","","90","","120","","3038.43","","","","","","","","","","","","","3","R -3 c","","","","","","- I6 Rb4 Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000651","14.516","","14.516","","18.292","","90","","90","","120","","3338","","","","","","","","","","","","","3","R -3 c","","","","","","- Cs4 I6 Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7123817","5.7715","0.0004","20.005","0.001","14.749","0.001","90","","96.51","0.004","90","","1691.92","0.19","200.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","- C56 H112 N8 O16 -","4","1","","Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki","One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State","Chemical Communications","2001","19","","2004","2005","10.1039/B106155K","","","1.5418","CuKα","","","0.0633","","","","0.1715","","","","","","1.925","","","","has coordinates","216933","2020-10-21","18:00:00",""
"7123818","5.5246","0.0008","7.433","0.001","10.865","0.002","98.88","0.01","100.86","0.01","104.38","0.01","414.85","0.12","296.3","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","1","0.5","","Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki","One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State","Chemical Communications","2001","19","","2004","2005","10.1039/B106155K","","","0.7107","MoKα","","","0.046","","","","0.137","","","","","","1.001","","","","has coordinates","301860","2025-08-22","09:26:35",""
"7123819","9.952","0.005","15.229","0.007","10.059","0.006","90","","92.86","0.01","90","","1522.6","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 F6 P2 Ru -","- C33 H34 F6 P2 Ru -","- C66 H68 F12 P4 Ru2 -","2","1","","Ruba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reactivity of a metallacyclopentatriene intermediate: metal-to-ligand-to-metal re-migration of a phosphine ligand versus a 1,2 hydrogen shift","Chemical Communications","2001","19","","1996","1997","10.1039/B104927P","","","0.71073","MoKα","","0.0448","0.0411","","","0.0993","0.1023","","","","","","1.084","","","","has coordinates","216935","2020-10-21","18:00:00",""
"7123820","7.7219","0.0002","5.8443","0.0001","29.0762","0.0007","90","","94.278","0.002","90","","1308.53","0.05","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Bi4 O24 Pb8 V4 -","- Bi4 O24 Pb8 V4 -","- Bi8 O48 Pb16 V8 -","2","1","","Evans, John; Evans, Ivana R.; Howard, Judith A. K.; Withers, Ray L.","Ab initio structure determination of BiPb2VO6 from powder diffraction data","Chemical Communications","2001","19","","1984","1985","10.1039/B105242J","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","216936","2020-10-21","18:00:00",""
"7123833","23.604","0.004","23.604","0.004","10.803","0.006","90","","90","","120","","5213","3","296.2","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 O6 -","- C78 H84 O6 -","- C234 H252 O18 -","3","0.166667","","Youichi Hosokawa; Takeshi Kawase; Masaji Oda","8,16,24,32,40,48-Hexamethoxy[2.6]metacyclophane-1,9,17,25,33,41-hexayne: a novel near-planar ammonium selective ionophore","Chemical Communications","2001","19","","1948","1949","10.1039/B104325K","","","0.7107","MoKα","","","0.0603","","","","0.1352","","","","","","1.01","","","","has coordinates","301860","2025-08-22","09:26:35",""
"7157754","14.8685","0.0008","8.0336","0.0004","16.456","0.0009","90","","93.1431","0.0007","90","","1962.67","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0704","0.0562","","","0.1531","0.1652","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157755","10.4535","0.0009","11.5142","0.001","17.3923","0.0014","71.1047","0.0011","87.8758","0.0011","89.5875","0.0011","1979.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0792","0.0521","","","0.131","0.1518","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157756","15.4338","0.0003","8.3344","0.0002","16.0463","0.0003","90","","110.518","0.0008","90","","1933.12","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","1.54178","CuKα","","0.0455","0.043","","","0.126","0.1286","","","","","","1.103","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157757","11.3621","0.0009","11.4447","0.0009","11.5177","0.0009","90","","119.266","0.001","90","","1306.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chiral Iridicyle 1","Chiral Iridicyle 1","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C62 H62 Cl2 Ir2 N2 O2 -","2","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0442","0.0445","","","","","","0.748","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157758","7.7357","0.0005","14.3256","0.0009","22.7397","0.0014","90","","90","","90","","2520","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Chiral Iridicyle 2","Chiral Iridicyle 2","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C124 H124 Cl4 Ir4 N4 O4 -","4","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0154","0.0146","","","0.0332","0.0334","","","","","","1.028","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157763","18.614","0.004","9.112","0.0018","16.553","0.003","90","","107.01","0.03","90","","2684.7","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C128 H88 Cl8 N16 O8 -","8","1","","Lin, Xinxin; Zeng, Cuilian; Liu, Chengkou; Fang, Zheng; Guo, Kai","C-5 selective chlorination of 8-aminoquinoline amides using dichloromethane.","Organic & biomolecular chemistry","2021","19","6","1352","1357","10.1039/d0ob02055a","","","0.71073","MoKα","","0.0763","0.0536","","","0.14","0.1581","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157774","10.4037","0.0001","10.6504","0.0001","13.4206","0.0001","90","","90","","90","","1487.05","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0341","0.034","","0.0921","0.0919","0.0921","","","","","","1.0026","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157775","12.2886","0.0002","7.0684","0.0001","13.9005","0.0002","90","","104.496","0.0013","90","","1168.97","0.03","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.048","0.0478","","0.134","0.1339","0.134","","","","","","1.0042","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157776","10.6602","0.0005","8.6837","0.0003","12.1854","0.0005","90","","92.849","0.003","90","","1126.61","0.08","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","0.71073","MoKα","","0.0461","0.0418","","0.096","0.0935","0.096","","","","","","1.0171","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157777","9.2571","0.0001","8.0452","0.0001","16.5061","0.0001","90","","98.63","0.0008","90","","1215.38","0.02","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0403","0.0401","","0.1072","0.1066","0.1072","","","","","","1.0007","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157778","7.702","0.0001","11.2053","0.0002","14.0796","0.0002","90","","90.9742","0.0014","90","","1214.94","0.03","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0524","0.0512","","0.1395","0.138","0.1395","","","","","","1.0009","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157779","11.0485","0.0006","7.5574","0.0003","14.9506","0.0007","90","","108.179","0.005","90","","1186.03","0.1","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0598","0.0555","","0.1504","0.1436","0.1504","","","","","","0.9961","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157783","5.6978","0.0007","24.596","0.003","16.9362","0.0018","90","","94.356","0.004","90","","2366.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","18087z","","","- C25 H29 N O7 -","- C25 H29 N O7 -","- C100 H116 N4 O28 -","4","1","","Hammers, Matthew D.; Hodny, Michael H.; Bader, Taysir K.; Mahmoodi, M. Mohsen; Fang, Sifei; Fenton, Alexander D.; Nurie, Kadiro; Trial, Hallie O.; Xu, Feng; Healy, Andrew T.; Ball, Zachary T.; Blank, David A.; Distefano, Mark D.","Two-photon uncaging of bioactive thiols in live cells at wavelengths above 800 nm.","Organic & biomolecular chemistry","2021","19","10","2213","2223","10.1039/d0ob01986k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1366","0.1467","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157803","13.71398","0.00013","15.00188","0.00015","9.01525","0.00008","90","","93.206","0.0009","90","","1851.85","0.03","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B F2 N3 O S -","- C22 H14 B F2 N3 O S -","- C88 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Kravets, Mykola; Luboradzki, Roman; Volyniuk, Dmytro; Sashuk, Volodymyr; Grazulevicius, Juozas Vidas","Carbazole-modified thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinines exhibiting aggregation-induced emission and mechanofluorochromism.","Organic & biomolecular chemistry","2021","19","2","406","415","10.1039/d0ob02225j","","x-ray","1.54184","CuKα","","0.037","0.0367","","","0.0994","0.0998","","","","","","1.0537","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157804","9.5125","0.0009","10.2643","0.001","14.9575","0.0014","90","","90","","90","","1460.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Gao, Yu-Qi; Hou, Yi; Chen, Junhan; Zhen, Yanxia; Xu, Dongyang; Zhang, Hongli; Wei, Hongbo; Xie, Weiqing","Asymmetric synthesis of 9-alkyl tetrahydroxanthenones <i>via</i> tandem asymmetric Michael/cyclization promoted by chiral phosphoric acid.","Organic & biomolecular chemistry","2021","19","2","348","354","10.1039/d0ob02140g","","","1.54178","CuKα","","0.0351","0.029","","","0.0795","0.0817","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157805","12.3306","0.0006","9.6662","0.0006","21.3703","0.0012","90","","91.206","0.002","90","","2546.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 -","- C31 H27 N O3 -","- C124 H108 N4 O12 -","4","1","","He, Chun-Ting; Han, Xiao-Li; Zhang, Yan-Xue; Du, Zhen-Ting; Si, Chang-Mei; Wei, Bang-Guo","Sc(OTf)<sub>3</sub>-catalyzed [3 + 2]-cycloaddition of nitrones with ynones.","Organic & biomolecular chemistry","2021","19","2","457","466","10.1039/d0ob02158j","","","0.71073","mokα","","0.0641","0.0426","","","0.0996","0.1138","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157806","8.1617","0.0004","24.6313","0.0011","11.5178","0.0007","90","","91.993","0.005","90","","2314.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","2","","Liu, Shuai-Jiang; Mao, Qing; Zhan, Gu; Qin, Rui; Chen, Ben-Hong; Xue, Jing; Luo, Meng-Lan; Zhao, Qian; Han, Bo","Stereoselective synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam through the organocatalytic cascade reaction of 3-((2,2,2-trifluoroethyl)amino)indolin-2-one.","Organic & biomolecular chemistry","2021","19","2","467","475","10.1039/d0ob02166k","","x-ray","0.71073","MoKα","","0.0763","0.0505","","","0.1091","0.122","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157807","9.73","0.002","20.98","0.004","11.45","0.002","90","","104.39","0.03","90","","2264","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 S -","- C28 H21 N O2 S -","- C112 H84 N4 O8 S4 -","4","1","","Kar, Abhishek; Chakraborty, Baitan; Kundal, Sandip; Rana, Gopal; Jana, Umasish","DDQ/FeCl<sub>3</sub>-mediated tandem oxidative carbon-carbon bond formation for the Synthesis of indole-fluorene hybrid molecules.","Organic & biomolecular chemistry","2021","19","4","906","910","10.1039/d0ob00413h","","","0.71073","MoKα","","0.1238","0.0543","","","0.1306","0.1701","","","","","","0.861","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157808","18.521","0.0004","18.521","0.0004","9.0228","0.0002","90","","90","","90","","3095.07","0.12","90","","90","","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C112 H144 N16 O32 S16 -","16","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.036","0.0324","","","0.0887","0.0915","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157809","6.6299","0.0002","16.2473","0.0004","7.5792","0.0002","90","","91.6792","0.0011","90","","816.07","0.04","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C28 H36 N4 O8 S4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0346","0.0311","","","0.0869","0.0893","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157810","10.1687","0.0011","7.4132","0.0013","7.6623","0.0015","90","","100.344","0.005","90","","568.22","0.16","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0705","0.0483","","","0.1239","0.1347","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157811","6.9213","0.0002","14.3941","0.0004","15.9579","0.0005","90","","90.6969","0.0014","90","","1589.7","0.08","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C56 H72 N8 O16 S8 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.057","0.0394","","","0.097","0.1051","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157812","10.1116","0.0002","12.9234","0.0003","7.4954","0.0001","90","","90","","90","","979.47","0.03","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0296","0.0279","","","0.0788","0.0801","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157813","7.5162","0.0004","3.9503","0.0002","22.2292","0.0013","90","","93.257","0.003","90","","658.95","0.06","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0447","0.0343","","","0.086","0.0918","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157814","17.8295","0.0005","6.9792","0.0002","7.9202","0.0002","90","","92.3238","0.0012","90","","984.74","0.05","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0379","0.0306","","","0.0779","0.0825","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157815","8.3017","0.0002","5.8957","0.0001","22.7478","0.0005","90","","93.5648","0.001","90","","1111.22","0.04","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.051","0.04","","","0.1058","0.1125","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157816","9.4437","0.0001","8.5227","0.0001","4.0482","0.0001","90","","91.2214","0.0001","90","","325.749","0.01","90","","90","","","","","","","","","4","C 1 m 1","C -2y","8","","4-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0209","0.0209","","","0.052","0.052","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157817","5.3453","0.0001","6.6576","0.0001","6.9904","0.0001","86.1628","0.0001","88.9324","0.0001","82.6823","0.0001","246.174","0.007","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,4-Bis(methaneslufonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","1","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.038","0.0312","","","0.0723","0.0754","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157818","8.0887","0.0001","11.9923","0.0002","23.8075","0.0004","90","","90.9951","0.0006","90","","2309.03","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C96 H128 N32 -","16","4","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0532","0.0383","","","0.0958","0.1035","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157819","3.891","0.0002","10.2919","0.0004","16.3686","0.0007","90","","94.963","0.002","90","","653.04","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0448","0.0405","","","0.1115","0.1141","","","","","","1.179","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157820","9.8262","0.0002","10.2492","0.0002","14.6317","0.0003","95.916","0.002","102.954","0.002","111.833","0.002","1304.44","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C54 H54 N6 O4 -","2","1","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.0376","0.036","","","0.0902","0.0912","","","","","","1.033","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157821","11.5475","0.0003","11.5869","0.0003","16.748","0.0003","86.787","0.002","70.29","0.002","89.647","0.002","2106.08","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H22.5 N1.5 O3.5 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","2","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.1033","0.0996","","","0.2653","0.2693","","","","","","1.032","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7157822","18.0027","0.0003","17.5394","0.0003","7.634","0.0001","90","","91.611","0.0008","90","","2409.53","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Chada, Raji Reddy; Kajare, Roshan Chandrakant; Bhandari, Mayur C.; Mohammed, Siddique Z.; Khatravath, Mahender; Warudikar, Kamalkishor; Punna, Nagender","Facile access to [1,2]-oxazine derivatives via annulations of aminoxy-tethered 1,7-enynes.","Organic & biomolecular chemistry","2021","19","4","809","821","10.1039/d0ob02279a","","","0.71073","MoKα","","0.0945","0.0574","","","0.1329","0.1492","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157823","9.9992","0.0004","10.1775","0.0005","12.6396","0.0006","69.319","0.005","80.319","0.004","84.713","0.004","1185.52","0.1","291.43","0.1","291.43","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N3 O -","- C30 H25 N3 O -","- C60 H50 N6 O2 -","2","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","x-ray","0.71073","MoKα","","0.0756","0.056","","","0.16","0.1738","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157824","23.825","0.002","14.2553","0.0012","13.0345","0.0012","90","","112.464","0.003","90","","4091","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 N O4 S -","- C23 H18 F3 N O4 S -","- C184 H144 F24 N8 O32 S8 -","8","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","","0.71073","MoKα","","0.1366","0.0516","","","0.0868","0.1072","","","","","","0.919","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157825","5.6716","0.0005","11.2488","0.0011","11.2777","0.001","71.977","0.004","78.405","0.004","83.669","0.004","669.34","0.11","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Hu, Wangcheng; He, Xinwei; Zhou, Tongtong; Zuo, Youpeng; Zhang, Shiwen; Yang, Tingting; Shang, Yongjia","Construction of isoxazolone-fused phenanthridines <i>via</i> Rh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones.","Organic & biomolecular chemistry","2021","19","3","552","556","10.1039/d0ob02310h","","","0.71073","MoKα","","0.0588","0.0429","","","0.1052","0.1145","","","","","","1.036","","","","has coordinates","261767","2021-02-04","23:31:36",""
"7157826","8.4191","0.0002","10.2779","0.0002","11.5069","0.0003","71.584","0.001","72.713","0.001","72.084","0.001","876.57","0.04","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","","Zhao, Bin; Xu, Bo","Visible-light promoted oxidative cyclization of cinnamic acid derivatives using xanthone as the photocatalyst.","Organic & biomolecular chemistry","2021","19","3","568","573","10.1039/d0ob02417a","","","1.34139","GaKα","","0.0423","0.0364","","","0.1","0.1056","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157827","4.844","0.006","7.64","0.02","18.26","0.02","91","0.3","93.03","0.14","90.89","0.19","675","2","120","","120","","","","","","","","","4","P -1","-P 1","2","","(1R,5R,6R,7S,8aR)-6,7-dihydroxy-5-(hydroxymethyl)-1-pentylhexahydro-3H-oxazolo[3,4-a]pyridin-3-one","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","x-ray","0.71069","MoKα","","0.0898","0.0593","","","0.1245","0.1397","","","","1.68","1.68","1.62","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157828","8.3","0.002","6.2591","0.0006","9.34","0.002","90","","108.02","0.02","90","","461.42","0.16","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","","0.71073","MoKα","","0.0378","0.0302","","","0.0742","0.076","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157829","9.3481","0.0014","11.8624","0.0017","17.695","0.003","90","","100.756","0.004","90","","1927.7","0.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paudyal, Mahesh P.; Wang, Mingliang; Siitonen, Juha H.; Hu, Yimin; Yousufuddin, Muhammed; Shen, Hong C.; Falck, John R.; Kürti, László","Intramolecular N-Me and N-H aminoetherification for the synthesis of <i>N</i>-unprotected 3-amino-O-heterocycles.","Organic & biomolecular chemistry","2021","19","3","557","560","10.1039/d0ob02122a","","","0.71073","MoKα","","0.0716","0.0491","","","0.1623","0.1804","","","","","","1.248","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157830","8.9919","0.0002","12.2777","0.0002","14.0831","0.0003","90","","90","","90","","1554.77","0.05","153","","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Chang, Zhiqian; Zhu, Huilong; Wu, Changhui; Xing, Junhao; Dou, Xiaowei","A rhodium-catalysed conjugate addition/cyclization cascade for the asymmetric synthesis of 2-amino-4H-chromenes.","Organic & biomolecular chemistry","2021","19","4","785","788","10.1039/d0ob02404j","","","1.54178","CuKα","","0.0355","0.0324","","","0.0807","0.0834","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157831","7.9985","0.0006","10.3197","0.0006","22.414","0.0014","90","","93.464","0.002","90","","1846.7","0.2","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hygrophorone A12","","- C18 H32 O4 -","- C18 H32 O4 -","- C72 H128 O16 -","4","2","","Das, Sayani; Dalal, Anu; Gholap, Shivajirao L.","Stereoselective total syntheses of (-)-hygrophorone A<sup>12</sup>, 4-<i>O</i>-acetyl-hygrophorone A<sup>12</sup> and (+)-hygrophorone B<sup>12</sup>.","Organic & biomolecular chemistry","2021","19","5","1100","1108","10.1039/d0ob02303e","","","0.71073","MoKα","","0.0862","0.0501","","","0.1023","0.1169","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157832","9.8242","0.0001","13.6944","0.0002","17.0549","0.0003","83.081","0.001","83.318","0.001","79.105","0.001","2226.41","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H43 Cl3 N2 O6 -","- C53 H43 Cl3 N2 O6 -","- C106 H86 Cl6 N4 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.077","0.0634","","","0.1779","0.1861","","","","","","1.048","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157833","10.5325","0.0002","8.1523","0.0002","19.8965","0.0004","90","","94.68","0.002","90","","1702.7","0.06","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.044","0.0353","","","0.0893","0.0939","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157834","8.6565","0.0002","9.9527","0.0002","20.7506","0.0005","90","","96.235","0.002","90","","1777.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.0728","0.0636","","","0.1507","0.155","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157835","12.14946","0.00015","6.86531","0.00007","15.15149","0.00018","90","","108.158","0.0013","90","","1200.85","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0843","0.0849","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157836","9.9597","0.001","15.095","0.0012","12.0193","0.0012","90","","108.577","0.011","90","","1712.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","0.71073","MoKα","","0.0618","0.0486","","","0.1134","0.121","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157837","4.9355","0.0004","9.9998","0.0008","44.492","0.003","90","","90","","90","","2195.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C96 H100 Br4 N8 O20 -","4","1","","Marshall, James W.; de Mattos-Shipley, Kate M J; Ghannam, Iman A. Y.; Munawar, Asifa; Killen, Jonathan C.; Lazarus, Colin M.; Cox, Russell J.; Willis, Christine L.; Simpson, Thomas J.","Fusarochromene, a novel tryptophan-derived metabolite from <i>Fusarium sacchari</i>.","Organic & biomolecular chemistry","2021","19","1","182","187","10.1039/d0ob02031a","","","1.54178","CuKα","","0.0495","0.0487","","","0.1216","0.122","","","","","","1.229","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157838","6.2936","0.0003","14.1248","0.0007","23.296","0.0009","90","","90","","90","","2070.92","0.16","293.9","0.3","293.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br F3 N2 O2 -","- C22 H18 Br F3 N2 O2 -","- C88 H72 Br4 F12 N8 O8 -","4","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0674","0.0634","","","0.1675","0.1749","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157839","8.1897","0.0003","12.2546","0.0005","10.5538","0.0004","90","","90.193","0.003","90","","1059.19","0.07","295.1","0.4","295.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C48 H40 N4 O4 S2 -","2","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0531","0.0492","","","0.1245","0.1319","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157840","4.954","0.003","20.606","0.013","16.56","0.01","90","","91.728","0.015","90","","1689.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Malasala, Satyaveni; Polomoni, Anusha; Chelli, Sai Manohar; Kar, Swayamsidda; Madhavi, Y. V.; Nanduri, Srinivas","A microwave-assisted copper-mediated tandem approach for fused quinazoline derivatives.","Organic & biomolecular chemistry","2021","19","8","1854","1859","10.1039/d0ob02312d","","","0.71073","MoKα","","0.0813","0.0558","","","0.1396","0.1559","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157841","12.2034","0.0004","8.3948","0.0003","19.2731","0.0006","90","","91.4","0.003","90","","1973.85","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","P, Rajesh; Almansour, Abdulrahman I.; Arumugam, Natarajan; Yaragorla, Srinivasarao","Calcium-catalyzed formal [3 + 2] annulation of <i>C</i>,<i>N</i>-diacyliminium ions with nucleophilic phenols: a diversity oriented synthesis of 3-aminofurans.","Organic & biomolecular chemistry","2021","19","5","1060","1065","10.1039/d0ob02276d","","","0.71073","MoKα","","0.0665","0.0436","","","0.1113","0.1254","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157842","10.235","0.002","10.235","0.002","23.295","0.012","90","","90","","90","","2440.3","1.4","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C104 H72 Br4 N12 O8 S4 -","4","1","","Wang, Wenyao; Wei, Shiqiang; Bao, Xiaoze; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Enantioselective [3 + 2] annulation of 4-isothiocyanato pyrazolones and alkynyl ketones under organocatalysis.","Organic & biomolecular chemistry","2021","19","5","1145","1154","10.1039/d0ob02423f","","","0.71073","MoKα","","0.0987","0.0488","","","0.1038","0.1213","","","","","","0.951","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157843","8.9714","0.0015","6.6608","0.0007","19.405","0.003","90","","98.551","0.015","90","","1146.7","0.3","114","1","114","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","1","","Samser, Shaikh; Biswal, Priyabrata; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan","Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones.","Organic & biomolecular chemistry","2021","19","6","1386","1394","10.1039/d0ob02515a","","x-ray","1.54184","CuKα","","0.1201","0.1022","","","0.2919","0.319","","","","","","1.28","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157844","8.3267","0.0018","8.7156","0.0019","16.902","0.004","97.684","0.003","91.3","0.002","94.942","0.002","1210.4","0.5","182","2","181.65","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C58 H48 N4 O8 S2 -","2","1","","Wang, Hai-Qing; Ma, Wenjing; Sun, Ao; Sun, Xin-Yue; Jiang, Chao; Zhang, Yu-Chen; Shi, Feng","(4 + 2) cyclization of aza-<i>o</i>-quinone methides with azlactones: construction of biologically important dihydroquinolinone frameworks.","Organic & biomolecular chemistry","2021","19","6","1334","1343","10.1039/d0ob02388d","","","0.71073","MoKα","","0.063","0.048","","","0.1196","0.1288","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157845","10.1798","0.0002","10.3113","0.0002","12.4879","0.0003","112.371","0.002","101.901","0.002","101.004","0.002","1132.33","0.05","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 N2 O3 S Si -","- C23 H26 N2 O3 S Si -","- C46 H52 N4 O6 S2 Si2 -","2","1","","Tsuda, Masato; Morita, Taiki; Fukuhara, Shintaro; Nakamura, Hiroyuki","Synthesis of 4-amino-5-allenylisoxazoles <i>via</i> gold(I)-catalysed propargyl aza-Claisen rearrangement.","Organic & biomolecular chemistry","2021","19","6","1358","1364","10.1039/d0ob02544e","","x-ray","1.54184","CuKα","","0.0457","0.0426","","","0.115","0.1175","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157846","6.1764","0.0002","22.3986","0.0006","16.9215","0.0005","90","","94.563","0.001","90","","2333.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","2","","Chen, Yan-Ni; Ding, Xiao; Li, Dong-Mei; Sun, Mao; Yang, Lei; Zhang, Yu; Di, Ying-Tong; Fang, Xin; Hao, Xiao-Jiang","Diterpenoids with an unprecedented ring system from <i>Euphorbia peplus</i> and their activities in the lysosomal-autophagy pathway.","Organic & biomolecular chemistry","2021","19","7","1541","1545","10.1039/d0ob02414g","","","1.54178","CuKα","","0.0288","0.0285","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates,has disorder","262723","2021-03-05","02:26:19",""
"7157847","9.65728","0.00015","15.7878","0.0003","31.1416","0.0004","90","","93.2577","0.0014","90","","4740.4","0.13","110","0.4","110","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-benzyl-5,8-diaza-1-thiacycloicosane-4,7,20-trione","","- C24 H36 N2 O3 S -","- C24 H36 N2 O3 S -","- C192 H288 N16 O24 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0527","0.0416","","","0.0983","0.1049","","","","","","1.019","","","","has coordinates,has disorder","262718","2021-03-05","02:25:43",""
"7157848","9.1158","0.0002","9.9322","0.0003","34.9595","0.0009","90","","92.94","0.002","90","","3161.07","0.14","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-thia-5-azacycloheptadecane-4,17-dione","","- C15 H27 N O2 S -","- C15 H27 N O2 S -","- C120 H216 N8 O16 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0478","0.0442","","","0.1164","0.1172","","","","","","1.235","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157849","8.0303","0.0001","9.6259","0.0002","27.807","0.0006","90","","90","","90","","2149.45","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-thia-5-azacyclododecane-4,12-dione","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","1","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0323","0.0284","","","0.0709","0.0737","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157850","4.7659","0.0003","12.6787","0.0007","11.0168","0.0006","90","","95.803","0.002","90","","662.28","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Dong, Sanfeng; Zhao, Yitian; Shi, Yulong; Xu, Zhijian; Shen, Jingshan; Jia, Qi; Li, Yiming; Chen, Kaixian; Li, Bo; Zhu, Weiliang","One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-<i>cis</i> glycosylamines bearing various protected groups.","Organic & biomolecular chemistry","2021","19","7","1580","1588","10.1039/d0ob02477e","","","1.54184","CuKα","","0.0293","0.0279","","","0.0652","0.0663","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157851","10.0294","0.0004","10.8154","0.0006","19.2909","0.0009","90","","90","","90","","2092.52","0.17","292.9","0.1","292.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","0.71073","MoKα","","0.074","0.0486","","","0.0865","0.0975","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157852","7.0441","0.00019","16.2447","0.0004","18.72","0.0005","90","","90","","90","","2142.12","0.1","293.44","0.1","293.44","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O3 -","- C25 H23 Cl N2 O3 -","- C100 H92 Cl4 N8 O12 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","1.54184","CuKα","","0.0496","0.0416","","","0.0957","0.1031","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157853","8.431","0.0005","10.6418","0.0011","11.6712","0.0014","115.047","0.011","104.819","0.008","94.55","0.007","895.84","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 O3 S -","- C23 H18 O3 S -","- C46 H36 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0935","0.0743","","","0.1566","0.1803","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157854","8.1695","0.0006","11.1838","0.0009","12.1869","0.001","116.288","0.008","102.125","0.007","97.876","0.006","941.83","0.16","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O3 S -","- C24 H20 O3 S -","- C48 H40 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1087","0.1163","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157855","10.234","0.003","14.235","0.005","30.529","0.012","90","","90","","90","","4447","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N2 O3 -","- C26 H23 Cl N2 O3 -","- C208 H184 Cl8 N16 O24 -","8","2","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","0.71073","MoKα","","0.0554","0.0427","","","0.0901","0.0958","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157856","10.6498","0.0004","10.95","0.0004","21.8176","0.0008","90","","104.078","0.002","90","","2467.85","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O3 -","- C30 H34 N2 O3 -","- C120 H136 N8 O12 -","4","1","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","1.54178","CuKα","","0.0389","0.0359","","","0.0848","0.0864","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157857","10.479","0.006","11.171","0.005","12.25","0.006","64.87","0.05","73.59","0.06","66.24","0.05","1177.4","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C52 H36 Br2 N6 O4 S2 -","2","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.1614","0.0729","","","0.1374","0.1722","","","","","","1.07","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157858","15.23","0.009","14.373","0.008","18.32","0.011","90","","106.462","0.015","90","","3846","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 O2 S2 -","- C50 H32 N2 O2 S2 -","- C200 H128 N8 O8 S8 -","4","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.2278","0.0669","","","0.1278","0.1889","","","","","","0.987","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157859","11.1078","0.0007","14.2349","0.0009","14.7424","0.001","63.737","0.006","72.36","0.006","82.226","0.005","1992.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H11 F S -","- C18 H11 F S -","- C108 H66 F6 S6 -","6","3","","Zhang, Yuan; Lai, Weiping; Zhang, Lianpeng; Gao, Xiaoxing; Qiu, Guanyinsheng; Zhou, Hongwei","The copper-catalyzed synthesis of (<i>Z</i>)-2<i>H</i>-naphtho[1,8-<i>bc</i>]thiophenes with solid emission.","Organic & biomolecular chemistry","2021","19","8","1827","1834","10.1039/d0ob02233k","","x-ray","0.71073","MoKα","","0.1103","0.0676","","","0.1703","0.2023","","","","","","1.027","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7157860","7.84","0.0004","11.8374","0.0006","11.9176","0.0006","111.955","0.002","97.653","0.002","98.734","0.002","991.91","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","Compound-3f","2-Chloro-8-methoxy-6'-(trifluoromethyl)-6H-spiro[dibenzo[b,e]oxepine-11,3'-indolin]-2'-one","","- C23 H15 Cl F3 N O3 -","- C23 H15 Cl F3 N O3 -","- C46 H30 Cl2 F6 N2 O6 -","2","1","","Samikannu, Ramesh; Sethuraman, Sankaranarayanan; Akula, Nagaraja; Radhakrishnan, Vignesh; Kamisetti, Srinivasarao; Banu, Shabana; Vetrichelvan, Muthalagu; Gupta, Anuradha; Li, Jianqing; Rampulla, Richard; Mathur, Arvind","Solvent-specific, DAST-mediated intramolecular Friedel-Crafts reaction: access to dibenzoxepine-fused spirooxindoles.","Organic & biomolecular chemistry","2021","19","8","1760","1768","10.1039/d0ob02461a","","x-ray","1.54178","CuKα","","0.0452","0.0437","","","0.1213","0.1233","","","","","","1.096","","","","has coordinates","263829","2021-04-05","15:15:49",""
"7157861","10.3275","0.0007","14.0098","0.0009","15.4589","0.0011","90.549","0.002","108.062","0.002","101.778","0.002","2075.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","ORGANIC","","","- C28 H20 O3 -","- C28 H20 O3 -","- C112 H80 O12 -","4","2","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","Mokα","","0.086","0.0588","","","0.1461","0.1675","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157862","10.2296","0.0014","15.605","0.002","14.042","0.002","90","","93.949","0.002","90","","2236.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 F2 O2 S -","- C28 H18 F2 O2 S -","- C112 H72 F8 O8 S4 -","4","1","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","MoKα","","0.0577","0.0506","","","0.1346","0.1423","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157863","12.4218","0.00014","12.4218","0.00014","9.8189","0.0002","90","","90","","90","","1515.07","0.04","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","","Kostenko, Alexey A.; Bykova, Kseniya A.; Kucherenko, Alexander S.; Komogortsev, Andrey N.; Lichitsky, Boris V.; Zlotin, Sergei G.","2-Nitroallyl carbonate-based green bifunctional reagents for catalytic asymmetric annulation reactions.","Organic & biomolecular chemistry","2021","19","8","1780","1786","10.1039/d0ob02283g","","","0.71073","MoKα","","0.0222","0.0205","","","0.0526","0.0541","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157864","13.1376","0.0012","14.5412","0.0013","15.0949","0.0014","90","","102.733","0.002","90","","2812.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Gao, Weiwei; Wang, Xiaodong; Yao, Linbin; Tang, Bencan; Mu, Guohao; Shi, Tao; Wang, Zhen","Synthesis of an isomer of lycoplanine A <i>via</i> cascade cyclization to construct the spiro-N,O-acetal moiety.","Organic & biomolecular chemistry","2021","19","8","1748","1751","10.1039/d0ob02399j","","","0.71073","MoKα","","0.0705","0.0448","","","0.1308","0.1553","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157865","8.2965","0.0001","8.9484","0.0002","34.1519","0.0006","90","","90","","90","","2535.45","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O3 -","- C27 H36 N2 O3 -","- C108 H144 N8 O12 -","4","1","","Kimura, Yuto; Uraguchi, Daisuke; Ooi, Takashi","Catalytic asymmetric synthesis of 5-membered alicyclic α-quaternary β-amino acids <i>via</i> [3 + 2]-photocycloaddition of α-substituted acrylates.","Organic & biomolecular chemistry","2021","19","8","1744","1747","10.1039/d1ob00126d","","","1.54187","CuKα","","0.0305","0.0301","","","0.0797","0.08","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157866","7.2529","0.0003","12.9297","0.0005","13.0243","0.0005","85.469","0.003","82.621","0.003","73.765","0.003","1161.78","0.08","99.99","0.13","99.99","0.13","","","","","","","","4","P -1","-P 1","2","","methyl 5-amino-4-cyano-3-phenyl-1H-pyrrole-2-carboxylate","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Agafonova, Anastasiya V.; Funt, Liya D.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","An isoxazole strategy for the synthesis of alkyl 5-amino-4-cyano-1<i>H</i>-pyrrole-2-carboxylates - versatile building blocks for assembling pyrrolo-fused heterocycles.","Organic & biomolecular chemistry","2021","19","9","1976","1984","10.1039/d1ob00053e","","x-ray","1.54184","CuKα","","0.0385","0.0341","","","0.0881","0.092","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157867","9.0455","0.0005","12.1947","0.0006","13.2917","0.0007","101.367","0.004","90.571","0.004","109.919","0.005","1346.68","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 Se -","- C15 H14 N2 O2 Se -","- C60 H56 N8 O8 Se4 -","4","2","","Kumar, Manish; Chhillar, Babli; Yadav, Manisha; Sagar, Poonam; Singhal, Nitin K.; Gates, Paul J.; Butcher, Ray J.; Singh, Vijay P.","Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects.","Organic & biomolecular chemistry","2021","19","9","2015","2022","10.1039/d0ob02368j","","","0.71073","MoKα","","0.1014","0.0888","","","0.2418","0.2492","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157868","8.9364","0.0003","10.9906","0.0003","12.2832","0.0003","74.382","0.002","74.161","0.003","69.175","0.003","1064.71","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-5-((4-methoxyphenyl)thio)-4-phenylnicotinonitrile","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0391","0.039","","","0.1043","0.1044","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157869","5.8187","0.0002","23.8383","0.0006","13.7274","0.0003","90","","97.246","0.002","90","","1888.89","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(benzylamino)-4,5-diphenylnicotinonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C100 H76 N12 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0536","0.0507","","","0.1488","0.152","","","","","","1.116","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157870","11.3651","0.0002","11.1837","0.0002","23.1292","0.0004","90","","90","","90","","2939.81","0.09","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2'-(benzylamino)-[3,4'-bipyridine]-3'-carbonitrile","","- C18 H14 N4 -","- C18 H14 N4 -","- C144 H112 N32 -","8","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0432","0.042","","","0.1121","0.1133","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157871","7.6769","0.0002","12.7598","0.0004","13.4914","0.0003","77.32","0.002","82.364","0.002","74.894","0.003","1240.75","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","2-(benzylamino)-5-chloro-4-methylnicotinonitrile","","- C28 H24 Cl2 N6 -","- C28 H24 Cl2 N6 -","- C56 H48 Cl4 N12 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.104","0.1053","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157872","5.3363","0.0001","11.5026","0.0002","25.9164","0.0005","94.122","0.002","94.41","0.002","102.197","0.002","1543.92","0.05","99.96","0.12","99.96","0.12","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-4-methyl-5-((2,2,2-trifluoroethyl)thio)nicotinonitrile","","- C16 H14 F3 N3 S -","- C16 H14 F3 N3 S -","- C64 H56 F12 N12 S4 -","4","2","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0621","0.0605","","","0.166","0.1684","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157873","14.1835","0.0002","24.2903","0.0004","6.0587","0.0001","90","","92.304","0.001","90","","2085.66","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-((4-methoxyphenyl)thio)-4-(4-nitrophenyl)-2-(propylamino)nicotinonitrile","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0405","0.038","","","0.1059","0.1077","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157874","8.9145","0.0007","9.9325","0.0008","10.1186","0.0008","87.116","0.006","69.183","0.007","70.272","0.007","785.82","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Wang, Yu-Chao; Huang, Keke; Lai, Xiaojing; Shi, Zhongning; Liu, Jin-Biao; Qiu, Guanyinsheng","Radical bromination-induced <i>ipso</i> cyclization-<i>ortho</i> cyclization sequence of <i>N</i>-hydroxylethyl-<i>N</i>-arylpropiolamides.","Organic & biomolecular chemistry","2021","19","9","1940","1944","10.1039/d1ob00010a","","","0.71073","MoKα","","0.1027","0.0644","","","0.1384","0.158","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157875","10.6472","0.0002","32.4978","0.0006","11.2031","0.0002","90","","100.67","0.002","90","","3809.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C152 H184 N8 O24 S8 -","8","2","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","x-ray","1.54184","CuKα","","0.0629","0.0489","","","0.1388","0.155","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157876","12.8604","0.00016","17.5424","0.0003","28.9789","0.0004","90","","90","","90","","6537.71","0.17","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 N2 O5 S2 -","- C34 H36 N2 O5 S2 -","- C272 H288 N16 O40 S16 -","8","1","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","","1.54184","CuKα","","0.0594","0.0483","","","0.1315","0.1424","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157877","27.115","0.0007","11.5861","0.0003","18.6719","0.0005","90","","105.101","0.001","90","","5663.3","0.3","193","2","193.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 B F2 N5 O -","- C37 H22 B F2 N5 O -","- C296 H176 B8 F16 N40 O8 -","8","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","1.34139","GaKα","","0.0579","0.0399","","","0.092","0.1016","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157878","8.939","0.008","9.493","0.008","17.408","0.016","88.857","0.013","84.196","0.014","88.477","0.012","1469","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B F2 N5 O -","- C39 H22 B F2 N5 O -","- C78 H44 B2 F4 N10 O2 -","2","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","0.71073","MoKα","","0.1448","0.0621","","","0.1534","0.2032","","","","","","0.957","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157879","11.427","0.001","10.282","0.0009","13.6992","0.0012","90","","99.468","0.003","90","","1587.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 B O2 S -","- C18 H19 B O2 S -","- C72 H76 B4 O8 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.06","0.0414","","","0.1119","0.1297","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157880","8.626","0.0005","9.2018","0.0005","22.6467","0.0011","90","","90","","90","","1797.58","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S2 -","- C19 H23 N O S2 -","- C76 H92 N4 O4 S8 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0475","0.0392","","","0.0849","0.0894","","","","","","1.056","","","","has coordinates,has disorder","263836","2021-04-05","15:17:00",""
"7157881","6.0539","0.0008","21.767","0.003","8.6784","0.0012","90","","97.314","0.005","90","","1134.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0648","0.0479","","","0.1068","0.1146","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157882","7.6092","0.0014","3.8618","0.0007","32.437","0.007","90","","96.374","0.008","90","","947.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N S -","- C13 H7 N S -","- C52 H28 N4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0491","0.0448","","","0.1131","0.1159","","","","","","1.126","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157883","8.2143","0.0004","8.2225","0.0005","35.165","0.002","89.531","0.002","89.289","0.002","78.488","0.002","2327.1","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 F3 O1 S -","- C14 H7 F3 O S -","- C112 H56 F24 O8 S8 -","8","4","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0723","0.0498","","","0.1223","0.1373","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157884","17.962","0.003","10.2398","0.0015","11.0654","0.0016","90","","93.763","0.006","90","","2030.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0878","0.0733","","","0.2118","0.2262","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157885","9.4174","0.0005","10.5047","0.0005","11.707","0.0006","92.823","0.002","108.693","0.002","109.839","0.002","1015.58","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C52 H48 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0443","0.0361","","","0.0856","0.0909","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157886","13.873","0.0007","22.7202","0.0012","6.3384","0.0003","90","","98.843","0.002","90","","1974.1","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0849","0.0716","","","0.1719","0.1787","","","","","","1.131","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157887","27.5645","0.0011","7.0521","0.0003","22.8442","0.001","90","","114.574","0.001","90","","4038.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F O4 -","- C26 H23 F O4 -","- C208 H184 F8 O32 -","8","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0412","0.0345","","","0.0835","0.0881","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157888","9.6698","0.0008","13.6733","0.0012","15.2154","0.0012","107.614","0.004","91.299","0.004","93.979","0.004","1910.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","c-18b","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","2","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0582","0.0461","","","0.1124","0.1196","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157889","8.443","0.003","7.818","0.003","29.113","0.011","90","","96.255","0.012","90","","1910.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7a*","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0654","0.047","","","0.1164","0.1356","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157890","7.6249","0.0005","9.1227","0.0005","12.8047","0.0009","85.841","0.005","88.2","0.005","81.018","0.005","877.27","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 O6 S -","- C19 H12 O6 S -","- C38 H24 O12 S2 -","2","1","","Zhou, Wei; Tian, You-Ping; Zhou, Hao-Jie; Wang, Hui-Juan; Ren, Yan; Liu, Xiong-Li","Synthesis of methanesulfone-containing tetrasubstituted carbon stereocenters.","Organic & biomolecular chemistry","2021","19","10","2269","2276","10.1039/d1ob00071c","","x-ray","0.71073","MoKα","","0.0532","0.047","","","0.1165","0.1205","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157891","9.5039","0.0012","8.281","0.002","24.124","0.008","90","","96.831","0.02","90","","1885.1","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F6 N2 O S2 -","- C17 H16 F6 N2 O S2 -","- C68 H64 F24 N8 O4 S8 -","4","1","","Ellaby, Rebecca J.; Clark, Ewan R.; Allen, Nyasha; Taylor, Faith R.; Ng, Kendrick K. L.; Dimitrovski, Milan; Chu, Dominique F.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","Identification of organophosphorus simulants for the development of next-generation detection technologies.","Organic & biomolecular chemistry","2021","19","9","2008","2014","10.1039/d0ob02523b","","x-ray","1.54184","CuKα","","0.1461","0.0709","","","0.1394","0.18","","","","","","0.981","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157892","31.342","0.006","5.8152","0.0012","29.181","0.006","90","","115.2","0.03","90","","4812","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 -","- C30 H30 N2 -","- C240 H240 N16 -","8","2","","Liu, Anan; Ma, Dongge; Qian, Yuhang; Li, Jundan; Zhai, Shan; Wang, Yi; Chen, Chuncheng","A powerful azomethine ylide route mediated by TiO<sub>2</sub> photocatalysis for the preparation of polysubstituted imidazolidines.","Organic & biomolecular chemistry","2021","19","10","2192","2197","10.1039/d0ob02277b","","","0.71073","MoKα","","0.1324","0.1029","","","0.1467","0.1564","","","","","","1.287","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157893","14.183","0.018","7.331","0.009","14.82","0.02","90","","111.951","0.011","90","","1429","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Vankar, Jigarkumar K.; Gupta, Ankush; Jadav, Jaydeepbhai P.; Nanjegowda, Shankara H.; Gururaja, Guddeangadi N.","The thioamidation of gem-dibromoalkenes in an aqueous medium.","Organic & biomolecular chemistry","2021","19","11","2473","2480","10.1039/d0ob02319a","","","0.71075","MoKα","","0.1002","0.0679","","","0.1725","0.1974","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157894","8.6212","0.0009","11.7654","0.0012","12.0329","0.0012","90","","100.743","0.005","90","","1199.1","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl N O2 -","- C28 H26 Cl N O2 -","- C56 H52 Cl2 N2 O4 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0861","0.0511","","","0.1545","0.1678","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157895","11.768","0.003","8.713","0.004","12.22","0.004","90","","96.67","0.02","90","","1244.5","0.8","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C58 H58 N2 O6 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0467","0.0415","","","0.1152","0.1222","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157896","14.0371","0.0004","18.7861","0.0004","13.4704","0.0003","90","","113.45","0.003","90","","3258.79","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br Cl2 N3 O2 -","- C37 H32 Br Cl2 N3 O2 -","- C148 H128 Br4 Cl8 N12 O8 -","4","1","","Li, Chunmei; Yang, Xiaopeng; Zhang, Furen; Qi, Chenze; Shen, Zhenlu","Simple and efficient one-pot multi-step strategy for the synthesis of 2-substituted (1,2,5-triarylpyrrolo[3,2-c]pyridin-3-yl)-N-arylacetamide derivatives in water.","Organic & biomolecular chemistry","2021","19","11","2526","2532","10.1039/d1ob00190f","","x-ray","1.54184","CuKα","","0.0653","0.0604","","","0.177","0.1867","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157897","15.0149","0.0011","6.9413","0.0005","28.0824","0.0018","90","","102.467","0.002","90","","2857.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl N3 O2 S -","- C27 H24 Cl N3 O2 S -","- C108 H96 Cl4 N12 O8 S4 -","4","1","","Jin, Shengnan; Chen, Fan; Qian, Pengcheng; Cheng, Jiang","Cyanoalkylation/alkynylation of allylic alcohol through intramolecular radical 1,2-alkynyl migration.","Organic & biomolecular chemistry","2021","19","11","2416","2419","10.1039/d1ob00192b","","","0.71073","MoKα","","0.0702","0.0447","","","0.1113","0.1232","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157898","10.0012","0.0008","22.074","0.002","10.7284","0.001","90","","90.349","0.003","90","","2368.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Chen, Zhuo; Nie, Xiao-Di; Sun, Jian-Ting; Yang, Ai-Mei; Wei, Bang-Guo","Zn(OTf)<sub>2</sub>-catalyzed hydroamination of ynamides with aromatic amines.","Organic & biomolecular chemistry","2021","19","11","2492","2501","10.1039/d0ob02603d","","","0.71073","MoKα","","0.0994","0.0608","","","0.1143","0.1316","","","","","","1.118","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157899","11.592","0.003","7.715","0.0015","19.848","0.005","90","","105.237","0.007","90","","1712.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1303","0.0817","","","0.196","0.2347","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157900","7.8318","0.001","10.2797","0.0013","21.689","0.003","90","","98.47","0.006","90","","1727.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1096","0.0825","","","0.2171","0.2458","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157901","7.40072","0.00018","9.1371","0.0003","18.7024","0.0006","90","","90","","90","","1264.68","0.07","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F N O5 -","- C13 H14 F N O5 -","- C52 H56 F4 N4 O20 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0449","0.0371","","","0.0779","0.0825","","","","","","1.202","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157902","6.781","0.003","22.97","0.009","8.2131","0.0019","90","","91.101","0.019","90","","1279","0.8","170","0.2","170","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O6 -","- C12 H11 F N2 O6 -","- C48 H44 F4 N8 O24 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0883","0.0746","","","0.1915","0.2043","","","","","","1.07","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157903","12.4119","0.0004","4.1382","0.0001","18.5166","0.0006","90","","94.868","0.003","90","","947.64","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I O3 -","- C9 H6 I O3 -","- C36 H24 I4 O12 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0309","0.0218","","","0.0472","0.0508","","","","","","1.062","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157904","8.9812","0.0003","10.2319","0.0003","22.2899","0.0006","90","","96.794","0.003","90","","2033.94","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 I N O4 -","- C23 H18 I N O4 -","- C92 H72 I4 N4 O16 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0301","0.0247","","","0.075","0.0783","","","","","","1.154","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157905","8.7105","0.0006","9.787","0.0007","10.2324","0.0012","107.954","0.007","100.92","0.007","104.829","0.005","767.28","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.1172","0.0606","","","0.1672","0.1977","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157906","9.8016","0.0006","12.5556","0.0007","14.0526","0.0008","90","","108.162","0.003","90","","1643.22","0.17","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.0715","0.0517","","","0.1455","0.1611","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157907","10.6922","0.0006","8.9341","0.0008","17.5905","0.0013","90","","98.505","0.006","90","","1661.9","0.2","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O S -","- C18 H15 Br N2 O S -","- C72 H60 Br4 N8 O4 S4 -","4","1","","Gu, Qingyun; Wang, Qiyang; Dai, Wenjing; Wang, Xin; Ban, Yingguo; Liu, Tianqing; Zhao, Yu; Zhang, Yanan; Ling, Yong; Zeng, Xiaobao","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated regio- and stereo-selective thiocyanation of enamides with NH<sub>4</sub>SCN.","Organic & biomolecular chemistry","2021","19","11","2512","2516","10.1039/d1ob00156f","","x-ray","0.71073","MoKα","","0.0607","0.0482","","","0.1103","0.1207","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157908","10.721","0.0007","14.6163","0.0011","12.7288","0.0011","90","","97.406","0.007","90","","1978","0.3","299","0.1","299","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O4 -","- C20 H18 Cl2 N4 O4 -","- C80 H72 Cl8 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","","0.71073","MoKα","","0.1107","0.0599","","","0.1393","0.1726","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157909","16.9129","0.0003","16.433","0.0002","8.5648","0.0002","90","","104.382","0.002","90","","2305.81","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8''-chloro-6'',9''-dimethoxy-8-(trifluoromethyl)-[7,7''-bipyrido[1,2-a]benzimidazole]-6,9-dione","","- C25 H22 Cl F3 N4 O4 -","- C25 H22 Cl F3 N4 O4 -","- C100 H88 Cl4 F12 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0428","0.0378","","","0.097","0.1019","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157910","23.3635","0.0002","9.5879","0.0001","17.6817","0.0002","90","","90","","90","","3960.82","0.07","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","7''-bromo-5'',8''-dimethoxy-[6,6''-bipyrrolo[1,2-a]benzimidazole]-5,8-dione","","- C22 H19 Br N4 O4 -","- C22 H19 Br N4 O4 -","- C176 H152 Br8 N32 O32 -","8","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0434","0.0431","","","0.1161","0.1163","","","","","","1.153","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157911","3.7961","0.0001","7.4931","0.0003","22.9246","0.0009","90","","99.5201","0.0013","90","","643.1","0.04","170","2","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O -","- C7 H6 N2 O -","- C28 H24 N8 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0688","0.0574","","","0.1432","0.153","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157912","8.9692","0.0001","18.2082","0.0002","9.2058","0.0001","90","","106.444","0.0007","90","","1441.93","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl N3 O2 -","- C12 H22 Cl N3 O2 -","- C48 H88 Cl4 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0485","0.04","","","0.0936","0.0977","","","","","","1.031","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157913","20.1831","0.0003","7.18245","0.00012","30.464","0.0005","90","","102.664","0.0017","90","","4308.76","0.12","123","0.1","123","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 Cl N6 O6 -","- C18 H31 Cl N6 O6 -","- C144 H248 Cl8 N48 O48 -","8","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.0664","0.062","","","0.183","0.1899","","","","","","1.05","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157914","8.5903","0.0002","14.7776","0.0004","15.1797","0.0004","87.837","0.002","73.679","0.002","82.1","0.002","1831.77","0.08","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C56 H92 Cl4 N24 O16 -","4","2","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.046","0.0445","","","0.1209","0.1231","","","","","","1.042","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157915","9.3183","0.0007","9.8382","0.0007","11.2711","0.0008","78.16","0.006","78.258","0.006","73.277","0.006","956.95","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 N3 O8 S2 -","- C13 H25 N3 O8 S2 -","- C26 H50 N6 O16 S4 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0505","0.0425","","","0.1101","0.116","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157916","4.4199","0.0003","11.7058","0.0006","20.2357","0.0015","90","","93.014","0.006","90","","1045.52","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl2 N3 O -","- C7 H11 Cl2 N3 O -","- C28 H44 Cl8 N12 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0472","0.0376","","","0.0908","0.0966","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157917","6.7656","0.0002","9.4132","0.0002","10.2539","0.0002","108.309","0.0011","96.718","0.0011","102.189","0.001","594.05","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Cl N3 O3 -","- C9 H16 Cl N3 O3 -","- C18 H32 Cl2 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0497","0.0404","","","0.0979","0.1038","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157918","6.577","0.0002","10.7154","0.0003","15.0191","0.0004","90","","90","","90","","1058.47","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0435","0.0417","","","0.1072","0.109","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157919","10.14","0.0008","4.0229","0.0004","10.8744","0.0012","90","","98.89","0.007","90","","438.26","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0998","0.063","","","0.1466","0.1688","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157920","4.3443","0.0004","14.5191","0.0009","15.9472","0.0015","90","","113.446","0.011","90","","922.83","0.15","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C28 H46 Cl2 N12 O8 -","2","0.5","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0635","0.044","","","0.0975","0.1095","","","","","","1.028","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157921","14.7267","0.0007","36.335","0.0018","7.3619","0.0004","90","","90.269","0.004","90","","3939.3","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19.669 N3 O5.735 -","- C9 H19.6693 N3 O5.73467 -","- C108 H236.032 N36 O68.816 -","12","3","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.1146","0.0889","","","0.2339","0.2503","","","","","","1.112","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157922","7.972","0.003","9.389","0.003","13.279","0.005","85.406","0.017","84.165","0.019","67.62","0.018","913.4","0.6","170","2","170","","","","","","","","","4","P -1","-P 1","2","","(4-Chlorophenyl)(3,5-diphenylcyclopent-2-en-1-yl)methanone","","- C24 H19 Cl O -","- C24 H19 Cl O -","- C48 H38 Cl2 O2 -","2","1","","Li, Ya-Qiong; Xu, Guo-Dong; Huang, Zhi-Zhen","An organophosphorus-mediated cross-Rauhut-Currier/Wittig domino reaction for the efficient synthesis of trisubstituted cyclopentenes.","Organic & biomolecular chemistry","2021","19","11","2487","2491","10.1039/d1ob00150g","","","0.71073","MoKα","","0.0413","0.0372","","","0.094","0.0972","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157923","5.2488","0.0002","7.5956","0.0003","33.4224","0.0012","90","","90","","90","","1332.48","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Liang, Leilei; Li, Ji; Shen, Baochun; Zhang, Yili; Liu, Jianping; Chen, Jingbo; Liu, Dandan","The effect of carbonyl on the isomerization of a galanthan ring system and total synthesis of (±)-β-lycorane.","Organic & biomolecular chemistry","2021","19","12","2767","2772","10.1039/d0ob02398a","","","1.54178","CuKα","","0.0282","0.0278","","","0.0734","0.0737","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157924","11.4303","0.0007","23.178","0.0016","10.3616","0.0008","90","","91.78","0.006","90","","2743.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","0.71073","MoKα","","0.0857","0.0728","","","0.2014","0.2095","","","","","","1.107","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157925","15.2387","0.0004","10.3818","0.0004","9.6545","0.0003","90","","90","","90","","1527.39","0.09","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","0.5","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","1.54184","CuKα","","0.0724","0.0692","","","0.164","0.1658","","","","","","1.163","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157926","7.18","0.003","8.862","0.004","12.266","0.006","84.056","0.017","84.296","0.015","84.884","0.014","770","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C34 H34 N2 O12 -","2","1","","Meng, Ling; Chang, Xiaoyong; Lin, Zhenyang; Wang, Jun Joelle","Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols.","Organic & biomolecular chemistry","2021","19","12","2663","2667","10.1039/d1ob00215e","","x-ray","0.71073","MoKα","","0.0526","0.0384","","","0.0929","0.0994","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157927","10.3731","0.0001","6.7217","0.0001","16.666","0.0002","90","","90","","90","","1162.03","0.02","150","2","150.01","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","0.5","","Williams, Georgia E.; Kociok-Köhn, Gabriele; James, Tony D.; Lewis, Simon E.","C4-aldehyde of guaiazulene: synthesis and derivatisation.","Organic & biomolecular chemistry","2021","19","11","2502","2511","10.1039/d0ob02567d","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1183","0.1197","","","","","","1.063","","","","has coordinates","263844","2021-04-05","15:18:40",""
"7157928","8.8254","0.0015","9.1172","0.0014","16.392","0.002","94.438","0.012","90.27","0.013","111.705","0.013","1221","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Br Cl N3 O3 -","- C27 H21 Br Cl N3 O3 -","- C54 H42 Br2 Cl2 N6 O6 -","2","1","","Teimouri, Mohammad Bagher; Mokhtare, Zahra; Khavasi, Hamid Reza","Uncatalyzed diastereoselective synthesis of alkyliminofurochromone-derived benzylmalononitriles via a three-component cascade reaction: competition between Diels-Alder cycloaddition and Michael addition.","Organic & biomolecular chemistry","2021","19","11","2517","2525","10.1039/d0ob02540b","","","0.71073","MoKα","","0.1894","0.0689","","","0.1368","0.1652","","","","","","0.816","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157929","11.5777","0.0016","12.8278","0.0018","15.3442","0.0019","77.929","0.005","76.867","0.005","88.501","0.005","2169.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N4 O -","- C23 H27 Br N4 O -","- C92 H108 Br4 N16 O4 -","4","2","","Wen, Li-Rong; Wang, Ning-Ning; Du, Wu-Bo; Ma, Qiang; Zhang, Lin-Bao; Li, Ming","Nickel-promoted oxidative domino C<sub>sp3</sub>-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones.","Organic & biomolecular chemistry","2021","19","13","2895","2900","10.1039/d1ob00139f","","","0.71073","MoKα","","0.0616","0.0496","","","0.1054","0.1122","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157930","6.7974","0.0012","13.92","0.002","9.9497","0.0018","90","","91.655","0.006","90","","941","0.3","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","tk287","","","- C18 H19 N9 O2 -","- C18 H19 N9 O2 -","- C36 H38 N18 O4 -","2","1","","Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas","Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.","Organic & biomolecular chemistry","2021","19","13","2907","2911","10.1039/d1ob00083g","","","0.71073","MoKα","","0.073","0.0486","","","0.1241","0.1413","","","","","","0.866","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157931","9.266","0.0002","11.4559","0.0003","12.8747","0.0004","90","","90","","90","","1366.65","0.06","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 B Cl2 N2 O -","- C15 H9 B Cl2 N2 O -","- C60 H36 B4 Cl8 N8 O4 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","x-ray","1.54184","CuKα","","0.0604","0.0532","","","0.1398","0.147","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157932","7.2198","0.0004","8.3969","0.0005","19.8689","0.0009","90","","97.203","0.002","90","","1195.02","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B Cl2 N2 -","- C13 H9 B Cl2 N2 -","- C52 H36 B4 Cl8 N8 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","","0.71073","MoKα","","0.0424","0.0344","","","0.0874","0.0928","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157933","11.5825","0.0011","11.7312","0.0012","16.2936","0.0016","90","","110.128","0.004","90","","2078.7","0.4","173","2","173.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S Se -","- C23 H21 N O3 S Se -","- C92 H84 N4 O12 S4 Se4 -","4","1","","Bian, Mixue; Hua, Jiawei; Ma, Tao; Xu, Jia; Cai, Chen; Yang, Zhao; Liu, Chengkou; He, Wei; Fang, Zheng; Guo, Kai","Continuous-flow electrosynthesis of selenium-substituted iminoisobenzofuran via oxidative cyclization of olefinic amides and diselenides.","Organic & biomolecular chemistry","2021","19","14","3207","3212","10.1039/d1ob00236h","","","1.34139","GaKα","","0.0374","0.0349","","","0.0924","0.0946","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157934","12.135","0.002","13.466","0.003","13.797","0.003","105.34","0.03","97.89","0.03","112.09","0.03","1942.6","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 Cl N5 O6 -","- C40 H43 Cl N5 O6 -","- C80 H86 Cl2 N10 O12 -","2","1","","Nazeri, Mohammad Taghi; Shaabani, Ahmad; Notash, Behrouz","Chemoselective synthesis of fully substituted pyrroles <i>via</i> a one-pot four-component isocyanide-based reaction.","Organic & biomolecular chemistry","2021","19","16","3722","3734","10.1039/d0ob02339f","","","0.71073","MoKα","","0.1532","0.0904","","","0.2467","0.2872","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157935","8.1689","0.0002","30.7155","0.0007","16.3945","0.0004","90","","103.292","0.003","90","","4003.38","0.17","150","","150","","","","","","","","syntheszied","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I N O -","- C6 H8 I N O -","- C120 H160 I20 N20 O20 -","20","5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0444","0.0284","","0.0514","0.0441","0.0514","","","","","","0.9294","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157936","16.154","0.002","10.07","0.0015","14.0816","0.0017","90","","91.992","0.011","90","","2289.3","0.5","150","","150","","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","","","- C30 H28 B N O -","- C30 H28 B N O -","- C120 H112 B4 N4 O4 -","4","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.1626","0.1524","","0.2956","0.2933","0.2956","","","","","","1.0465","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157937","10.4429","0.0002","11.3851","0.0003","13.3448","0.0003","78.042","0.002","78.837","0.002","83.599","0.002","1518.6","0.06","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C29 H28 F12 N2 O3 P2 -","- C29 H28 F12 N2 O3 P2 -","- C58 H56 F24 N4 O6 P4 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.061","0.057","","0.1548","0.1519","0.1548","","","","","","0.9706","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157938","6.9715","0.0003","8.8109","0.0004","10.7517","0.0004","105.053","0.004","99.409","0.004","94.776","0.004","623.68","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C10 H12 F6 N O2 P -","- C10 H12 F6 N O2 P -","- C20 H24 F12 N2 O4 P2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0509","0.0415","","0.1016","0.0916","0.1016","","","","","","0.9338","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157939","7.5285","0.0003","17.4636","0.0005","6.872","0.0002","90","","99.35","0.003","90","","891.49","0.05","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C40 H40 N4 O12 S2 -","2","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0552","0.0463","","0.119","0.1114","0.119","","","","","","0.9467","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157940","5.1792","0.0001","13.1666","0.0003","6.8217","0.0002","90","","97.057","0.002","90","","461.664","0.019","150","","150","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C20 H20 Cl2 N2 O2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0411","0.0407","","0.1067","0.1061","0.1067","","","","","","0.9111","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157941","14.8499","0.0005","16.5325","0.0006","18.0268","0.0007","65.052","0.004","66.01","0.003","88.251","0.003","3612.6","0.3","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C64 H62 F24 N10 O4 P4 -","- C64 H62 F24 N10 O4 P4 -","- C128 H124 F48 N20 O8 P8 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0689","0.0646","","0.1874","0.1831","0.1874","","","","","","0.9718","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157942","44.058","0.012","8.6635","0.0003","24.582","0.007","90","","146.85","0.06","90","","5131","8","150","","150","","","","","","","","synthesized","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.5 Cl F6 N2.5 O2 P -","- C27 H23.5 Cl F6 N2.5 O2 P -","- C216 H188 Cl8 F48 N20 O16 P8 -","8","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0499","0.0464","","0.11","0.1066","0.11","","","","","","0.9409","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157943","7.5194","0.0004","9.483","0.0004","9.4934","0.0003","118.013","0.004","97.791","0.003","104.191","0.004","553.98","0.05","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","1","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.021","0.0209","","0.0549","0.0548","0.0549","","","","","","1.0434","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157944","23.425","0.0003","23.425","0.0003","18.7771","0.0005","90","","90","","90","","10303.6","0.3","150","","150","","","","","","","","synthesized","6","I 41/a :2","-I 4ad","88","","","","- C26 H21 F6 N2 O2 P -","- C26 H21 F6 N2 O2 P -","- C416 H336 F96 N32 O32 P16 -","16","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0402","0.0326","","0.0845","0.0763","0.0845","","","","","","0.9499","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157945","7.762","0.0016","8.726","0.0017","18.728","0.004","85.64","0.03","88.48","0.03","89.71","0.03","1264.3","0.5","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H30 N2 O8 S -","- C28 H30 N2 O8 S -","- C56 H60 N4 O16 S2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","Synchrotron","","0.16","0.1255","","0.2194","0.2038","0.2194","","","","","","0.9047","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157946","9.8904","0.0002","7.3341","0.0002","22.6009","0.0007","90","","97.141","0.003","90","","1626.69","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0247","0.0219","","0.0438","0.0428","0.0438","","","","","","0.9504","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157947","14.3441","0.0002","11.4367","0.0001","16.6982","0.0002","90","","90.8455","0.0011","90","","2739.03","0.06","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F6 N3 O2 P -","- C28 H25 Br F6 N3 O2 P -","- C112 H100 Br4 F24 N12 O8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0357","0.0345","","0.0809","0.0805","0.0809","","","","","","0.9539","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157948","6.294","0.003","26.438","0.002","7.67","0.004","90","","103.84","0.01","90","","1239.2","0.9","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.710918","synchrotron","","0.0366","0.0346","","0.0873","0.086","0.0873","","","","","","0.9964","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157949","17.86","0.003","8.4885","0.0004","14.325","0.002","90","","136.68","0.03","90","","1490","0.9","105.6","","105.6","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Wu, Qiuyue; Dong, Ziyang; Xu, Jiaxi; Yang, Zhanhui","Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights.","Organic & biomolecular chemistry","2021","19","14","3173","3180","10.1039/d1ob00116g","","","1.5418","CuKα","","0.0289","0.0287","","","0.0753","0.0755","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157950","9.9245","0.0014","10.0171","0.0014","20.572","0.003","90","","93.914","0.013","90","","2040.4","0.5","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","2","","Shah, Chandan; Yadav, Pratik; Althagafi, Ismail; Nemaysh, Vishal; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Base mediated synthesis of functionalized 2-(alkynyl)arylnitriles and their molecular docking study with aromatase receptor.","Organic & biomolecular chemistry","2021","19","15","3462","3468","10.1039/d1ob00165e","","","0.71073","MoKα","","0.2237","0.0891","","","0.1858","0.2684","","","","","","0.8972","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157951","8.2412","0.0003","17.5619","0.0006","18.482","0.0005","90","","99.566","0.001","90","","2637.73","0.15","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C98 H76 Cl4 F24 N4 O4 S8 Sb4 -","2","0.5","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0286","0.0279","","","0.0842","0.085","","","","","","1.071","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157952","10.8928","0.001","26.053","0.002","7.3295","0.0005","90","","103.374","0.003","90","","2023.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F3 N O4 S3 -","- C20 H16 F3 N O4 S3 -","- C80 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0313","0.0288","","","0.0724","0.0743","","","","","","1.067","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157953","32.2922","0.0019","8.2812","0.0005","18.3803","0.0009","90","","111.542","0.002","90","","4571.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O3 S2 -","- C26 H18 F3 N O3 S2 -","- C208 H144 F24 N8 O24 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0437","0.0387","","","0.0956","0.1003","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157954","7.7343","0.0009","11.6345","0.0013","25.586","0.002","90","","95.771","0.003","90","","2290.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N O4 S3 -","- C25 H16 F3 N O4 S3 -","- C100 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0305","0.0294","","","0.0802","0.0811","","","","","","1.06","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157955","10.1835","0.0013","10.1873","0.0012","12.0324","0.0013","73.061","0.004","85.268","0.005","71.102","0.004","1129.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C54 H54 N6 O4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0432","0.0383","","","0.0961","0.1001","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157956","8.5809","0.0008","9.1772","0.0007","10.4716","0.0009","103.021","0.004","93.915","0.004","96.53","0.003","794.44","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C40 H28 N4 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0382","0.0337","","","0.0836","0.0876","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157957","24.1618","0.0013","8.143","0.0005","24.1637","0.0015","90","","99.543","0.002","90","","4688.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0344","0.033","","","0.089","0.0903","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157958","8.0241","0.0006","20.8105","0.0012","15.2442","0.0008","90","","105.143","0.002","90","","2457.2","0.3","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 F3 N O3 S2 -","- C28 H22 F3 N O3 S2 -","- C112 H88 F12 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0396","0.0336","","","0.0865","0.091","","","","","","1.046","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157959","9.8155","0.0006","16.0505","0.0014","29.742","0.002","90","","90","","90","","4685.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H18 F3 N O4 S2 -","- C26 H18 F3 N O4 S2 -","- C208 H144 F24 N8 O32 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0449","0.0393","","","0.0796","0.083","","","","","","1.105","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157960","10.9164","0.0009","15.2555","0.0015","14.1703","0.0013","90","","99.893","0.004","90","","2324.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F5 N O3 S2 -","- C26 H16 F5 N O3 S2 -","- C104 H64 F20 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0456","0.0424","","","0.1041","0.1066","","","","","","1.094","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157961","12.89","0.003","17.696","0.004","9.0179","0.0016","90","","99.136","0.006","90","","2030.9","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0676","0.0517","","","0.1213","0.1291","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157962","10.266","0.002","10.436","0.002","13.703","0.003","77.481","0.007","74.186","0.007","87.828","0.008","1378.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F3 N O3 S2 -","- C32 H22 F3 N O3 S2 -","- C64 H44 F6 N2 O6 S4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0541","0.0437","","","0.1036","0.1126","","","","","","1.073","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157963","6.149","0.002","16.882","0.005","19.24","0.006","90","","90","","90","","1997.3","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O S -","- C26 H21 N O S -","- C104 H84 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0386","0.0345","","","0.0804","0.0841","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157964","12.3013","0.0016","11.0116","0.0011","16.542","0.002","90","","100.472","0.004","90","","2203.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0346","0.0324","","","0.0869","0.089","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157965","13.0989","0.0006","13.0989","0.0006","27.9396","0.001","90","","90","","90","","4793.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C26 H18 F3 N O3 S3 -","- C26 H18 F3 N O3 S3 -","- C208 H144 F24 N8 O24 S24 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0559","0.0491","","","0.1256","0.1332","","","","","","1.043","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157966","12.066","0.005","11.422","0.005","16.283","0.007","90","","103.093","0.011","90","","2185.7","1.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C108 H92 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0961","0.0679","","","0.1777","0.2025","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157967","9.6947","0.0003","10.8404","0.0003","12.192","0.0004","99.164","0.001","113.438","0.001","109.745","0.001","1040.54","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C54 H46 N2 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.037","0.0338","","","0.0919","0.0976","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157968","11.0127","0.0008","18.919","0.002","17.186","0.002","90","","106.981","0.003","90","","3424.6","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F3 N O4 S5 -","- C38 H26 F3 N O4 S5 -","- C152 H104 F12 N4 O16 S20 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0578","0.0465","","","0.1042","0.1109","","","","","","1.058","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157969","14.7925","0.0018","10.7843","0.0013","13.5803","0.0017","90","","111.899","0.002","90","","2010.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0491","0.0348","","","0.094","0.1018","","","","","","0.951","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157970","13.3305","0.0012","7.3656","0.0007","20.434","0.002","90","","94.098","0.002","90","","2001.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 O3 S -","- C23 H17 Br N2 O3 S -","- C92 H68 Br4 N8 O12 S4 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0645","0.0402","","","0.0931","0.1005","","","","","","0.987","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157971","7.7555","0.0002","19.8449","0.0004","15.1282","0.0003","90","","102.239","0.002","90","","2275.42","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl F3 N O2 S -","- C26 H21 Cl F3 N O2 S -","- C104 H84 Cl4 F12 N4 O8 S4 -","4","1","","Chen, Tao; Wang, Aoning; Zhang, Linxue; Wei, Chenlong; Huang, Juhui; Liu, Xiang; Fu, Zhenqian","Formal [4 + 1] annulation of fluorinated sulfonium salt with cyclic unsaturated imines to access CF<sub>3</sub>-substituted pyrroles.","Organic & biomolecular chemistry","2021","19","14","3128","3133","10.1039/d1ob00218j","","x-ray","1.54184","CuKα","","0.0406","0.038","","","0.0968","0.0995","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157972","12.1135","0.0002","20.9493","0.0004","10.1143","0.0002","90","","101.59","0.03","90","","2514.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","","Emmaniel Raju, Chittala; Kadiyala, Veerabhushanam; Sreenivasulu, Gottam; Kumar, Perla Bharath; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed synthesis of 1<i>H</i>-isochromene-4-carbaldehydes <i>via</i> oxidative cascade cyclization.","Organic & biomolecular chemistry","2021","19","16","3634","3643","10.1039/d1ob00066g","","","0.71073","MoKα","","0.105","0.0662","","","0.168","0.1967","","","","","","1.027","","","","has coordinates","264944","2021-05-05","09:02:49",""
"7157973","15.2574","0.0002","8.055","0.0001","18.4264","0.0004","90","","96.396","0.002","90","","2250.48","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27.5 H23 Cl N2 O2 -","- C27.5 H23 Cl N2 O2 -","- C110 H92 Cl4 N8 O8 -","4","2","","Wei, Ran; Gao, Li; Li, Gaihui; Tang, Li; Zhang, Guoshun; Zheng, Feilang; Song, Heng; Li, Qingshan; Ban, Shurong","Squaramide-catalysed asymmetric Friedel-Crafts alkylation of naphthol and unsaturated pyrazolones.","Organic & biomolecular chemistry","2021","19","15","3370","3373","10.1039/d1ob00347j","","","1.54178","CuKα","","0.0711","0.0613","","","0.1605","0.168","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157974","12.4819","0.0003","5.4926","0.0002","25.2518","0.0007","90","","101.834","0.003","90","","1694.42","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C76 H68 Br4 N8 O12 -","4","1","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","1.54184","CuKα","","0.0374","0.0308","","","0.0772","0.0817","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157975","20.0555","0.001","7.4291","0.0005","23.0509","0.0012","90","","90","","90","","3434.5","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 I N2 O3 -","- C19 H15 I N2 O3 -","- C152 H120 I8 N16 O24 -","8","2","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","0.71073","MoKα","","0.0404","0.033","","","0.0638","0.0678","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157976","14.282","0.0013","13.5704","0.0009","10.3175","0.0009","90","","110.86","0.002","90","","1868.6","0.3","287","2","287.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.1752","0.0701","","","0.1276","0.1598","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157977","9.912","0.003","15.262","0.004","8.115","0.002","90","","98.518","0.01","90","","1214.1","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.0349","0.0312","","","0.0905","0.0946","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157978","21.5473","0.0006","6.9275","0.0002","10.8993","0.0003","90","","90","","90","","1626.93","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl3 O3 -","- C17 H15 Cl3 O3 -","- C68 H60 Cl12 O12 -","4","0.5","","Nechaev, Anton A.; Jagtap, Pratap R.; BaŽíková, Ema; Neumannová, Johana; Císařová, Ivana; Matoušová, Eliška","Synthesis of fused 1,2-naphthoquinones with cytotoxic activity using a one-pot three-step reaction.","Organic & biomolecular chemistry","2021","19","15","3434","3440","10.1039/d1ob00205h","","","1.54178","CuKα","","0.0482","0.0475","","","0.1255","0.1259","","","","","","1.165","","","","has coordinates","264963","2021-05-05","09:05:27",""
"7157979","16.9185","0.001","9.5036","0.0006","18.6989","0.0012","90","","143.599","0.001","90","","1784.2","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 F N2 O4 -","- C18 H15 Cl2 F N2 O4 -","- C72 H60 Cl8 F4 N8 O16 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-catalyzed [3 + 2]-cycloaddition of α-halonitroalkenes with azomethine ylides: facile synthesis of multisubstituted pyrrolidines and pyrroles.","Organic & biomolecular chemistry","2021","19","15","3413","3427","10.1039/d1ob00146a","","","0.71073","MoKα","","0.0441","0.0361","","","0.0835","0.0885","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157980","18.9549","0.0016","8.4866","0.0007","24.972","0.002","90","","92.897","0.001","90","","4011.9","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C192 H168 N8 O24 S8 -","8","1","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.0568","0.0394","","","0.1077","0.1217","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157981","19.956","0.003","8.6435","0.0012","24.548","0.003","90","","93.934","0.002","90","","4224.3","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N O3 S -","- C25 H20 N O3 S -","- C200 H160 N8 O24 S8 -","8","1","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.083","0.0527","","","0.1938","0.2374","","","","","","0.906","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157982","13.9206","0.0006","9.0995","0.0004","14.8399","0.0006","90","","116.476","0.001","90","","1682.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F N O -","- C22 H16 F N O -","- C88 H64 F4 N4 O4 -","4","1","","Ali, Saghir; Khan, Abu T.","Copper(ii) triflate catalyzed three-component reaction for the synthesis of 2,3-diarylquinoline derivatives using aryl amines, aryl aldehydes and styrene oxides.","Organic & biomolecular chemistry","2021","19","14","3255","3262","10.1039/d1ob00125f","","","0.71073","MoKα","","0.0948","0.0593","","","0.1456","0.1805","","","","","","0.883","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157983","10.0105","0.0003","11.3092","0.0004","19.085","0.0007","85.671","0.003","78.534","0.003","67.01","0.003","1949.31","0.12","282.72","0.1","282.72","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H43 Cl2 N2 P Ru -","- C41 H43 Cl2 N2 P Ru -","- C82 H86 Cl4 N4 P2 Ru2 -","2","1","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0336","0.0301","","","0.0737","0.0759","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:09",""
"7157984","10.4412","0.0001","11.3932","0.0002","29.2341","0.0003","90","","90","","90","","3477.65","0.08","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 Cl F6 N2 P2 Ru -","- C38 H37 Cl F6 N2 P2 Ru -","- C152 H148 Cl4 F24 N8 P8 Ru4 -","4","1","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0329","0.0315","","","0.0823","0.0836","","","","","","1.037","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157985","12.9079","0.0002","14.7545","0.0002","35.0697","0.0004","90","","95.042","0.001","90","","6653.17","0.16","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H Cl F N P Ru -","- C4.25806 H4.51613 Cl0.129032 F0.387097 N0.258065 P0.193548 Ru0.129032 -","- C264 H280 Cl8 F24 N16 P12 Ru8 -","62","7.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0442","0.0416","","","0.11","0.1124","","","","","","1.065","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157986","9.2203","0.0003","15.9604","0.0005","13.5514","0.0004","90","","97.921","0.001","90","","1975.19","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 S -","- C24 H17 Cl N2 S -","- C96 H68 Cl4 N8 S4 -","4","1","","Gupta, Prince Kumar; Yadav, Arvind Kumar; Sharma, Anup Kumar; Singh, Krishna Nand","Iodine-catalyzed thioallylation of indoles using Bunte salts prepared from Baylis-Hillman bromides.","Organic & biomolecular chemistry","2021","19","15","3484","3488","10.1039/d1ob00377a","","","0.71073","MoKα","","0.073","0.0511","","","0.0861","0.0953","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157987","9.6907","0.0012","10.3979","0.001","11.4082","0.0013","88.986","0.009","65.263","0.011","80.064","0.009","1026.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N O3 S -","- C22 H18 Br N O3 S -","- C44 H36 Br2 N2 O6 S2 -","2","1","","Yang, Lei; Zhou, Shun; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Wei-Cheng","A cascade deprotonation/intramolecular aldol reaction of α-carbonyl sulfonium ylides with 2-mercaptoindole-3-carbaldehydes and 2-mercaptobenzaldehydes to access thieno[2,3-<i>b</i>]indoles and benzothiophenes.","Organic & biomolecular chemistry","2021","19","16","3678","3686","10.1039/d1ob00349f","","x-ray","1.54184","CuKα","","0.049","0.0401","","","0.1026","0.1104","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157988","8.4413","0.0011","8.917","0.0013","9.0986","0.0011","95.122","0.005","107.332","0.005","113.574","0.004","581.96","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C22 H24 N4 O8 S2 -","2","1","","Liu, Xue; Wang, Jingjing; Wu, Ziyan; Li, Feng; Gao, Kexin; Peng, Fanyang; Wang, Junjie; Shen, Renzeng; Zhou, Yao; Liu, Lantao","An organophotoredox-catalyzed C(sp<sup>2</sup>)-N cross coupling reaction of cyclic aldimines with cyclic aliphatic amines.","Organic & biomolecular chemistry","2021","19","16","3595","3600","10.1039/d1ob00223f","","","0.71073","MoKα","","0.0421","0.0321","","","0.0832","0.0888","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157989","6.7354","0.0001","18.2897","0.0002","19.0257","0.0002","90","","90","","90","","2343.75","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O4 S -","- C25 H19 Br N2 O4 S -","- C100 H76 Br4 N8 O16 S4 -","4","1","","Chang, Li; Zhu, Guang-Yu; Yang, Ting; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalytic asymmetric formal [3 + 2] cycloaddition reaction of isocyanoacetates with saccharin-derived 1-azadienes.","Organic & biomolecular chemistry","2021","19","16","3687","3697","10.1039/d1ob00115a","","x-ray","1.54184","CuKα","","0.0499","0.0488","","","0.1277","0.1286","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157990","9.9842","0.0004","10.3171","0.0003","17.4171","0.0007","76.458","0.001","89.873","0.001","70.481","0.001","1638.32","0.11","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F3 O3 S -","- C17 H15 F3 O3 S -","- C68 H60 F12 O12 S4 -","4","2","","Sun, Tao; He, Shijun; Xu, Zhongliang; Zuo, Jianping; Yu, Yang; Yang, Weibo","Rh-Catalyzed C-H alkylation enabling modular synthesis of CF<sub>3</sub>-substituted benzannulated macrocyclic inhibitors of B cell responses.","Organic & biomolecular chemistry","2021","19","16","3589","3594","10.1039/d1ob00296a","","","0.71073","MoKα","","0.0899","0.0508","","","0.1388","0.1778","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157991","17.663","0.006","7.822","0.003","29.714","0.01","90","","90","0.007","90","","4105","3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 N3 O2 S -","- C21 H21 N3 O2 S -","- C168 H168 N24 O16 S8 -","8","2","","Zhao, Yu; Li, Li; Zhou, Zitong; Chen, Man; Yang, Weiguang; Luo, Hui","Copper catalyzed five-component domino strategy for the synthesis of nicotinimidamides.","Organic & biomolecular chemistry","2021","19","17","3868","3872","10.1039/d1ob00162k","","","0.71073","MoKα","","0.1783","0.0958","","","0.2247","0.2679","","","","","","0.973","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157992","19.019","0.002","19.073","0.002","10.6129","0.0011","90","","95.402","0.006","90","","3832.7","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O2 S2 -","- C21 H17 N3 O2 S2 -","- C168 H136 N24 O16 S16 -","8","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.1024","0.0773","","","0.1814","0.1997","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157993","7.1506","0.0002","10.5088","0.0003","15.9913","0.0004","102.89","0.001","98.917","0.001","106.16","0.001","1094.43","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N5 O4 S -","- C23 H23 N5 O4 S -","- C46 H46 N10 O8 S2 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.0441","0.0375","","","0.0885","0.0937","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157994","13.8799","0.0008","14.913","0.0008","14.9991","0.0007","106.397","0.002","108.593","0.002","108.531","0.002","2523.1","0.2","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H37 Cl3 F9 N9 S3 -","- C49 H37 Cl3 F9 N9 S3 -","- C98 H74 Cl6 F18 N18 S6 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.085","0.0712","","","0.1744","0.1828","","","","","","1.106","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7157995","9.2271","0.0003","17.1809","0.0005","15.5673","0.0005","90","","103.803","0.001","90","","2396.61","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C100 H140 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0386","0.0365","","","0.0871","0.0888","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157996","16.2391","0.0004","16.2391","0.0004","5.8098","0.0002","90","","90","","90","","1532.09","0.08","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0294","0.0287","","","0.0725","0.0732","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157997","14.5546","0.0004","19.3096","0.0006","8.6608","0.0003","90","","94.446","0.001","90","","2426.74","0.13","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0289","0.0287","","","0.0877","0.0882","","","","","","0.829","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157998","15.3793","0.0004","19.2972","0.0005","8.5773","0.0002","90","","99.046","0.001","90","","2513.89","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C104 H148 N4 O28 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0305","0.0305","","","0.0941","0.0941","","","","","","0.911","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7157999","10.8932","0.0002","17.0966","0.0003","39.2989","0.0007","90","","90","","90","","7318.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0353","0.0328","","","0.0821","0.084","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158000","10.5703","0.0002","18.2177","0.0004","13.5717","0.0003","90","","98.191","0.001","90","","2586.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","2","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0285","0.0282","","","0.0727","0.0731","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158001","10.8971","0.0002","17.1101","0.0003","39.2778","0.0007","90","","90","","90","","7323.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0288","0.0282","","","0.075","0.0756","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158002","9.847","0.0006","17.2006","0.0014","16.0137","0.0009","90","","106.046","0.006","90","","2606.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O4 S2 -","- C29 H24 N2 O4 S2 -","- C116 H96 N8 O16 S8 -","4","1","","Liu, Huahua; Wei, Li; Chen, Zhiyuan","One-pot multi-step cascade protocols toward β-indolyl sulfoximidoyl amides <i>via</i> intermolecular trapping of an α-indolylpalladium complex by CO.","Organic & biomolecular chemistry","2021","19","15","3359","3369","10.1039/d1ob00128k","","","0.71073","MoKα","","0.0484","0.0414","","","0.1127","0.1181","","","","","","1.003","","","","has coordinates","264957","2021-05-05","09:04:33",""
"7158003","9.7336","0.0005","9.4426","0.0005","12.9051","0.0008","90","","90","","90","","1186.11","0.11","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H11 Br Cl N O -","- C11 H11 Br Cl N O -","- C44 H44 Br4 Cl4 N4 O4 -","4","1","","Hu, Yuanyuan; Wang, Zhen; Luo, Honggen; Jin, Hongwei; Liu, Yunkui; Zhou, Bingwei","NHC-catalyzed Truce-Smiles rearrangement of <i>N</i>-aryl methacrylamides for the synthesis of <i>trans</i>-cinnamides.","Organic & biomolecular chemistry","2021","19","17","3834","3837","10.1039/d1ob00443c","","","1.34139","GaKα","","0.0283","0.0278","","","0.0697","0.0702","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158004","9.2734","0.0002","12.5056","0.0003","22.5981","0.0007","90","","90","","90","","2620.69","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl N4 O4 -","- C26 H29 Cl N4 O4 -","- C104 H116 Cl4 N16 O16 -","4","1","","Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei","An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines.","Organic & biomolecular chemistry","2021","19","17","3820","3824","10.1039/d1ob00374g","","","1.54184","CuKα","","0.0522","0.0436","","","0.1121","0.1208","","","","","","1.037","","","","has coordinates","266157","2021-06-05","19:27:08",""
"7158006","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158007","6.251","0.0002","18.8202","0.0006","14.227","0.0005","90","","98.706","0.003","90","","1654.45","0.1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","conjugated triene","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","x-ray","0.71073","MoKα","","0.0836","0.0761","","","0.2068","0.2139","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158008","5.712","0.0001","10.0398","0.0002","21.6602","0.0003","84.51","0.002","87.428","0.002","78.784","0.002","1212.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C62 H50 N2 O6 -","2","1","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0526","0.0451","","","0.1198","0.1258","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158009","10.602","0.0003","11.2205","0.0003","13.0016","0.0002","95.41","0.002","112.439","0.002","115.598","0.003","1225.34","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N O3 -","- C32 H27 N O3 -","- C64 H54 N2 O6 -","2","1","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0467","0.0414","","","0.1105","0.1142","","","","","","1.055","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7158010","10.301","0.002","6.87","0.001","29.971","0.006","90","","97.272","0.003","90","","2103.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta","Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones.","Organic & biomolecular chemistry","2021","19","17","3925","3931","10.1039/d1ob00076d","","x-ray","0.71073","MoKα","","0.0842","0.0561","","","0.1359","0.1491","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158011","14.1551","0.0003","9.5932","0.0003","13.369","0.0006","90","","90","","90","","1815.41","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","0.5","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0671","0.0595","","","0.1793","0.186","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158012","19.6128","0.0009","12.3072","0.0006","9.3607","0.0005","90","","90","","90","","2259.47","0.19","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0421","0.038","","","0.1015","0.1054","","","","","","1.047","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7158013","8.8647","0.0005","10.0294","0.0006","11.7597","0.0005","110.64","0.005","90.771","0.004","112.601","0.005","889.76","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 Cl2 N2 -","- C21 H20 Cl2 N2 -","- C42 H40 Cl4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0567","0.0486","","","0.1441","0.1501","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158014","5.5415","0.0002","10.2343","0.0005","21.638","0.001","86.297","0.004","89.697","0.004","87.381","0.004","1223.32","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C66 H60 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0842","0.0648","","","0.1837","0.2001","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158015","7.9071","0.0006","8.9267","0.0005","11.6792","0.0007","86.424","0.005","84.971","0.006","85.252","0.006","817.11","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 F2 N2 -","- C21 H20 F2 N2 -","- C42 H40 F4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0695","0.0605","","","0.1768","0.1855","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158016","6.517","0.0004","10.4112","0.0007","15.8832","0.001","90","","97.934","0.002","90","","1067.36","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","14","Nordiamantane carboxylic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim","Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.","Organic & biomolecular chemistry","2021","19","18","4027","4031","10.1039/d1ob00471a","","","0.71073","MoKα","","0.0529","0.0424","","","0.1069","0.1145","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158017","16.845","0.002","7.2075","0.0011","9.0263","0.0013","90","","104.89","0.006","90","","1059.1","0.3","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 S -","- C10 H16 N2 S -","- C40 H64 N8 S4 -","4","1","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.0536","0.0454","","","0.1238","0.1306","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158018","8.4613","0.0005","11.5857","0.0007","20.5398","0.0013","105.707","0.004","100.475","0.004","90.015","0.004","1903.4","0.2","190","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","4","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.1374","0.0625","","","0.1331","0.1614","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158019","7.7449","0.0012","16.862","0.003","21.49","0.003","90","","90","","90","","2806.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 I N O3 -","- C15 H10 I N O3 -","- C120 H80 I8 N8 O24 -","8","1","","Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.","Organic & biomolecular chemistry","2021","19","19","4258","4262","10.1039/d1ob00468a","","","0.71073","MoKα","","0.0835","0.0398","","","0.1079","0.1349","","","","","","0.992","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158020","20.7942","0.0007","11.5133","0.0003","21.0097","0.0007","90","","117.4","0.0011","90","","4465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C192 H208 N16 O32 S8 -","8","2","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0984","0.0582","","","0.1448","0.1677","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158021","10.9256","0.0006","19.212","0.0012","12.467","0.0008","90","","108.176","0.004","90","","2486.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C112 H112 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0842","0.0439","","","0.0961","0.1158","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158022","10.5135","0.0009","19.334","0.0017","9.35","0.0008","90","","114.646","0.003","90","","1727.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0873","0.0485","","","0.0944","0.1131","","","","","","0.981","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158023","10.7975","0.0004","15.5298","0.0005","13.53","0.0005","90","","111.241","0.0013","90","","2114.62","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C92 H96 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0501","0.0373","","","0.0938","0.1031","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158024","14.0275","0.0005","9.3309","0.0003","18.6042","0.0007","90","","101.919","0.0014","90","","2382.59","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C104 H100 N8 O20 P4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0478","0.0365","","","0.0939","0.1029","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158025","8.5936","0.0002","9.1593","0.0002","11.8002","0.0003","97.475","0.001","95.711","0.001","98.379","0.001","904.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C38 H52 N4 O8 S2 -","2","1","","Ilari, Denise; Maskri, Sarah; Schepmann, Dirk; Köhler, Jens; Daniliuc, Constantin G.; Koch, Oliver; Wünsch, Bernhard","Diastereoselective synthesis of conformationally restricted KOR agonists.","Organic & biomolecular chemistry","2021","19","18","4082","4099","10.1039/d1ob00398d","","","1.54178","CuKα","","0.0334","0.0325","","","0.0834","0.0842","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158026","17.858","0.003","7.985","0.002","24.624","0.006","90","","92.493","0.018","90","","3508","1.4","200","140","200","140","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 N4 O9 -","- C34 H49 N4 O9 -","- C136 H196 N16 O36 -","4","1","","Liu, Jin-Yu; Sun, Xue-Yi; Tang, Quan; Song, Jun-Jie; Li, Xiao-Qi; Gong, Bing; Liu, Rui; Lu, Zhong-Lin","An unnatural tripeptide structure containing intramolecular double H-bonds mimics a turn hairpin conformation.","Organic & biomolecular chemistry","2021","19","19","4359","4363","10.1039/d1ob00526j","","x-ray","1.54184","CuKα","","0.2419","0.1929","","","0.5026","0.5656","","","","","","2.084","","","","has coordinates","266164","2021-06-05","19:28:10",""
"7158027","8.755","0.003","9.844","0.003","10.982","0.004","111.2","0.012","98.323","0.012","105.109","0.011","821.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","","Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini","A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles.","Organic & biomolecular chemistry","2021","19","18","4118","4125","10.1039/d1ob00262g","","","0.71073","MoKα","","0.0633","0.0482","","","0.1203","0.1386","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158028","12.5334","0.0011","9.3516","0.0008","17.836","0.0015","90","","90","","90","","2090.5","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Natho, Philipp; Yang, Zeyu; Allen, Lewis A. T.; Rey, Juliette; White, Andrew J. P.; Parsons, Philip J.","An entry to 2-(cyclobut-1-en-1-yl)-1<i>H</i>-indoles through a cyclobutenylation/deprotection cascade.","Organic & biomolecular chemistry","2021","19","18","4048","4053","10.1039/d1ob00430a","","","0.71073","MoKα","","0.0916","0.0415","","","0.086","0.0951","","","","","","0.883","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158029","8.83667","0.00015","12.0256","0.0002","12.1039","0.0002","83.6482","0.0015","74.9958","0.0016","70.8882","0.0016","1173.43","0.04","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H23 N2 O4 P -","- C26 H23 N2 O4 P -","- C52 H46 N4 O8 P2 -","2","1","","Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata","Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.","Organic & biomolecular chemistry","2021","19","18","4132","4136","10.1039/d1ob00274k","","","1.54184","CuKα","","0.0819","0.0753","","","0.2085","0.2172","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158030","14.0152","0.0003","32.06","0.0007","27.4484","0.0005","90","","101.878","0.0018","90","","12069.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H134 Fe2 N24 O24 -","- C120 H134 Fe2 N24 O24 -","- C480 H536 Fe8 N96 O96 -","4","1","","Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.","Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.","Organic & biomolecular chemistry","2021","19","25","5521","5524","10.1039/d1ob00580d","","","0.71073","MoKα","","0.1062","0.0638","","","0.1532","0.1741","","","","","","1.073","","","","has coordinates,has disorder","267242","2021-07-05","18:13:30",""
"7158031","9.17","0.014","29.3","0.04","9.624","0.015","90","","94.36","0.02","90","","2578","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N O5 -","- C29 H22 Cl3 N O5 -","- C116 H88 Cl12 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.12","0.0599","","","0.1314","0.158","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158032","9.944","0.0006","10.1014","0.0005","11.6132","0.0006","79.844","0.002","79.371","0.002","84.323","0.002","1125.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N O5 S -","- C28 H21 N O5 S -","- C56 H42 N2 O10 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0768","0.0503","","","0.1314","0.1532","","","","","","0.91","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158033","9.427","0.0005","10.2071","0.0006","13.7551","0.0008","76.432","0.002","74.927","0.002","79.643","0.002","1232.36","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N O6 S -","- C29 H23 N O6 S -","- C58 H46 N2 O12 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","1.54178","CuKα","","0.0398","0.0364","","","0.0911","0.0937","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158034","9.8464","0.0015","16.367","0.002","14.348","0.002","90","","94.553","0.006","90","","2305","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl N O5 -","- C28 H20 Cl N O5 -","- C112 H80 Cl4 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0583","0.0416","","","0.0881","0.0954","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158035","23.452","0.005","4.5449","0.0009","22.939","0.005","90","","111.31","0.03","90","","2277.8","0.9","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","methyl 8-bromo-2-oxo-2,3-dihydro-1H-benzo[b]azepine-4-carboxylate","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C96 H80 Br8 N8 O24 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.063","0.0382","","","0.0869","0.0983","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158036","29.6153","0.0012","4.8689","0.0001","20.5","0.0009","90","","104.698","0.003","90","","2859.25","0.18","210","2","210","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(E)-2-(4-methoxybenzylidene)-4-isopropoxy-4-oxobutanoic acid","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.0564","0.0415","","","0.1129","0.1204","","","","","","1.07","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7158037","10.73","0.004","9.218","0.003","16.091","0.006","90","","95.635","0.007","90","","1583.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","","0.71073","MoKα","","0.0737","0.0416","","","0.0812","0.0885","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158038","11.7732","0.0005","7.7539","0.0003","15.9751","0.0007","90","","104.728","0.004","90","","1410.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C72 H44 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","1.54184","CuKα","","0.0943","0.0845","","","0.2077","0.2305","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158039","8.8361","0.001","8.2497","0.0008","21.719","0.002","90","","96.488","0.011","90","","1573.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","0.71073","MoKα","","0.0714","0.0485","","","0.1378","0.1575","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158040","8.16","0.0016","5.6","0.0011","27.7","0.006","90","","94","0.03","90","","1262.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-phenyl-1H-pyrano[4,3-b]quinolin-1-one","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Ansari, Farzaneh; Khosravi, Hormoz; Abbasi Kejani, Alireza; Armaghan, Mahsa; Frank, Walter; Balalaie, Saeed; Jafarpour, Farnaz","Transition-metal-free oxidative cyclization reaction of enynals to access pyrane-2-one derivatives.","Organic & biomolecular chemistry","2021","19","19","4263","4267","10.1039/d1ob00726b","","","0.71073","MoKα","","0.1256","0.0928","","","0.1455","0.155","","","","","","1.331","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158041","6.2023","0.0013","11.202","0.002","16.755","0.004","90","","90","","90","","1164.1","0.4","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Xu, Si-Yu; Zhang, Rui; Zhang, Shu-Sheng; Feng, Chen-Guo","Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction.","Organic & biomolecular chemistry","2021","19","20","4492","4496","10.1039/d1ob00487e","","","0.71073","MoKα","","0.1044","0.0396","","","0.0676","0.0845","","","","","","0.987","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158042","24.164","0.0005","9.5229","0.0002","15.7986","0.0003","90","","116.639","0.001","90","","3249.53","0.12","173","2","172.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 O2 P2 Ru -","- C37 H32 Cl2 O2 P2 Ru -","- C148 H128 Cl8 O8 P8 Ru4 -","4","0.5","","Li, Chen; Ge, Min-Tong; Bai, Liang; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","Direct <i>N</i>-alkylation of sulfur-containing amines.","Organic & biomolecular chemistry","2021","19","20","4478","4482","10.1039/d1ob00368b","","","1.34139","GaKα","","0.031","0.0304","","","0.0804","0.0808","","","","","","1.059","","","","has coordinates,has disorder","266166","2021-06-05","19:28:24",""
"7158043","22.5105","0.0008","6.8064","0.0002","20.6235","0.0007","90","","117.157","0.001","90","","2811.5","0.16","120","","120","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H9 N O -","- C8 H9.00025 N O -","- C128 H144.004 N16 O16 -","16","2","","Luo, Liangliang; Chen, Xiao-Pan; Li, Zhao-Feng; Zhou, Yuan; Xiao, You-Cai; Chen, Fen-Er","Palladium(II)-catalyzed aerobic oxidative O-H/C-H isocyanide insertion: facile access to pyrrolo[2,1-<i>c</i>][1,4]benzoxazine derivatives.","Organic & biomolecular chemistry","2021","19","19","4364","4368","10.1039/d1ob00393c","","","0.71073","MoKα","","0.0923","0.0555","","","0.1228","0.1449","","","","","","1.018","","","","has coordinates,has disorder","266161","2021-06-05","19:27:46",""
"7158044","8.703","0.013","9.329","0.014","14.17","0.02","94.13","0.03","91.26","0.03","90.13","0.02","1147","3","223","","223","","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 Br O5 -","- C24 H32 Br O5 -","- C48 H64 Br2 O10 -","2","2","","Nakamura, Tenma; Pitna, Dinda B.; Kimura, Kogaku; Yoshimoto, Yukiko; Uchiyama, Tomoya; Mori, Takaya; Kondo, Ryosuke; Hara, Shihori; Egoshi, Yuki; Yamaguchi, Shoya; Suzuki, Noriyuki; Suzuki, Yumiko; Usuki, Toyonobu","Total synthesis of cynaropicrin.","Organic & biomolecular chemistry","2021","19","27","6038","6044","10.1039/d1ob00657f","","","0.71073","MoKα","","0.1182","0.0737","","","0.187","0.2234","","","","","","0.935","","","","has coordinates","268917","2021-09-06","12:24:05",""
"7158045","11.179","0.003","18.388","0.004","19.517","0.004","90","","90","","90","","4011.9","1.6","110","2","110","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H20 Cl8 F4 O4 Sb2 -","- C42 H20 Cl8 F4 O4 Sb2 -","- C168 H80 Cl32 F16 O16 Sb8 -","4","0.5","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0296","0.0272","","","0.0662","0.0676","","","","","","1.148","","","","has coordinates","267229","2021-07-05","18:10:56",""
"7158046","8.8626","0.0012","11.4164","0.0015","12.8227","0.0017","96.74","0.002","92.201","0.002","91.203","0.002","1287","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","none","","","- C32 H15 F8 O2 Sb -","- C32 H15 F8 O2 Sb -","- C64 H30 F16 O4 Sb2 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158047","21.576","","13.045","","24.513","","90","","105.31","","90","","6654.55","","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H56 F21 N O4 Sb2 -","- C74 H56 F21 N O4 Sb2 -","- C296 H224 F84 N4 O16 Sb8 -","4","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0314","0.0223","","","0.0455","0.0486","","","","","","1.039","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158048","43.782","0.013","12.384","0.003","24.941","0.007","90","","96.702","0.006","90","","13431","6","110","2","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.95 H59 F16.97 N O4 Sb2 -","- C73.944 H59 F16.968 N O4 Sb2 -","- C591.552 H472 F135.744 N8 O32 Sb16 -","8","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0746","0.0475","","","0.1075","0.1228","","","","","","1.021","","","","has coordinates,has disorder","276322","2022-06-28","14:05:29",""
"7158049","10.646","0.01","12.039","0.012","22.8","0.02","88.953","0.012","89.387","0.011","81.84","0.011","2892","5","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H30 Cl6 F16 O4 Sb2 -","- C61 H30 Cl6 F16 O4 Sb2 -","- C122 H60 Cl12 F32 O8 Sb4 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0449","0.0334","","","0.0729","0.0791","","","","","","1.022","","","","has coordinates,has disorder","276322","2022-06-28","14:05:41",""
"7158050","29.7448","0.0012","10.3503","0.0004","31.5033","0.0013","90","","90","","90","","9698.8","0.7","100.15","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H20 F20 O4 Sb2 -","- C58 H20 F20 O4 Sb2 -","- C464 H160 F160 O32 Sb16 -","8","2","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.036","0.03","","","0.0728","0.0749","","","","","","1.156","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158051","11.3249","0.00016","10.11966","0.00012","11.47015","0.00015","90","","106.002","0.0014","90","","1263.59","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C58 H58 F2 N4 O6 -","2","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0709","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158052","25.4371","0.0005","6.95612","0.00016","15.3764","0.0002","90","","99.685","0.0016","90","","2681.98","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C116 H116 F4 N8 O12 -","4","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0879","0.0907","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158053","12.4146","0.0006","9.1711","0.0005","13.5882","0.0008","90","","105.086","0.005","90","","1493.77","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Nipate, Dhananjay S.; Shinde, Vikki N.; Rangan, Krishnan; Kumar, Anil","Switchable regioselective hydroalkylation of 2-arylindoles with maleimides.","Organic & biomolecular chemistry","2021","19","22","4910","4921","10.1039/d1ob00690h","","x-ray","1.54184","CuKα","","0.0903","0.0862","","","0.2693","0.2721","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158054","15.2055","0.0018","17.986","0.002","8.4082","0.0011","90","","90","","90","","2299.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.1004","0.069","","","0.1332","0.1476","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158055","11.9481","0.0008","15.6973","0.0009","12.0408","0.0007","90","","111.052","0.003","90","","2107.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 O6 -","- C25 H20 F2 O6 -","- C100 H80 F8 O24 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.0725","0.0407","","","0.0917","0.1061","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158056","9.4685","0.0005","12.8091","0.0007","17.304","0.001","90","","92.621","0.002","90","","2096.5","0.2","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N O -","- C24 H8 B F10 N O -","- C96 H32 B4 F40 N4 O4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0497","0.0392","","","0.1006","0.108","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158057","11.1178","0.0006","12.3316","0.0006","15.8444","0.0008","83.703","0.002","89.331","0.002","89.752","0.002","2159.01","0.19","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H12 B F10 N -","- C25 H12 B F10 N -","- C100 H48 B4 F40 N4 -","4","2","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0603","0.047","","","0.1075","0.1199","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158058","7.6108","0.0004","9.4314","0.0007","27.7355","0.0019","90","","94.802","0.002","90","","1983.9","0.2","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N -","- C24 H8 B F10 N -","- C96 H32 B4 F40 N4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0578","0.0455","","","0.1029","0.1087","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158059","30.583","0.01","14.745","0.005","17.429","0.006","90","","122.794","0.012","90","","6607","4","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H18 B F10 N3 -","- C31 H18 B F10 N3 -","- C248 H144 B8 F80 N24 -","8","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0931","0.0613","","","0.146","0.167","","","","","","1.012","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7158060","11.0755","0.001","11.2327","0.0011","18.6587","0.0018","90","","105.827","0.003","90","","2233.3","0.4","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F10 N Si2 -","- C18 H18 B F10 N Si2 -","- C72 H72 B4 F40 N4 Si8 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0525","0.0466","","","0.105","0.1108","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158061","6.1284","0.0003","13.2853","0.0008","34.731","0.003","90","","90","","90","","2827.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-bis(diphenylbismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 O -","- C36 H26 Bi2 O -","- C144 H104 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0374","0.0287","","","0.0571","0.0604","","","","","","1.069","","","","has coordinates","267231","2021-07-05","18:11:35",""
"7158062","9.0281","0.0004","12.188","0.0005","15.1195","0.0006","101.289","0.002","90.246","0.002","95.156","0.002","1624.47","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-l5-bismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 Cl4 O -","- C36 H26 Bi2 Cl4 O -","- C72 H52 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0408","0.0262","","","0.0527","0.0566","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158063","12.0198","0.0003","12.1771","0.0007","15.7796","0.0011","96.19","0.005","103.9","0.004","114.199","0.003","1988.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-λ^5^-bismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C44 H36 Bi2 Cl4 O -","- C44 H36 Bi2 Cl4 O -","- C88 H72 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.027","0.021","","","0.0436","0.0457","","","","","","1.072","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158064","10.6951","0.0017","10.8286","0.0012","13.7009","0.0008","83.462","0.006","88.592","0.009","79.178","0.012","1548.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,6-bis(diphenylbismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C38 H30 Bi2 O -","- C38 H30 Bi2 O -","- C76 H60 Bi4 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0555","0.0314","","","0.0553","0.0613","","","","","","1.011","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158065","37.8761","0.0011","51.185","0.0017","6.6097","0.0002","90","","90","","90","","12814.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylbismuthane)","","- C39 H32 Bi2 O -","- C39 H32 Bi2 O -","- C624 H512 Bi32 O16 -","16","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.041","0.0288","","","0.0415","0.0437","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158066","8.4334","0.0005","25.9105","0.0015","15.5944","0.0009","90","","91.06","0.002","90","","3407","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(oxybis(2,1-phenylene))bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C36 H28 Bi2 Cl4 O -","- C36 H28 Bi2 Cl4 O -","- C144 H112 Bi8 Cl16 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0327","0.0253","","","0.0521","0.0542","","","","","","1.089","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158067","11.0777","0.0007","17.8599","0.0011","15.0585","0.0009","90","","92.997","0.002","90","","2975.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(oxybis(2,1-phenylene))bis(diphenylbismuthane)","","- C36 H28 Bi2 O -","- C36 H28 Bi2 O -","- C144 H112 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0262","0.0187","","","0.033","0.0344","","","","","","1.038","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158068","12.3959","0.0006","13.9993","0.0006","21.7582","0.001","90","","100.772","0.002","90","","3709.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C39.5 H33 Bi2 Cl5 O -","- C39.5 H33 Bi2 Cl5 O -","- C158 H132 Bi8 Cl20 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0196","0.016","","","0.0323","0.0339","","","","","","1.043","","","","has coordinates,has disorder","267231","2021-07-05","18:11:36",""
"7158069","9.495","0.004","15.107","0.007","12.403","0.006","90","","93.99","0.02","90","","1774.8","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 Br N2 O -","- C24 H13 Br N2 O -","- C96 H52 Br4 N8 O4 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","","0.71073","MoKα","","0.1261","0.0488","","","0.0951","0.1207","","","","","","0.971","","","","has coordinates","267248","2021-07-05","18:14:36",""
"7158070","9.7636","0.0003","9.7605","0.0002","19.7943","0.0005","90","","94.084","0.002","90","","1881.56","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br1.287 Cl0.713 N2 -","- C24 H14 Br1.287 Cl0.713 N2 -","- C96 H56 Br5.148 Cl2.852 N8 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.0834","0.084","","","","3.41","3.41","3.33","","","","has coordinates","267248","2021-07-05","18:14:37",""
"7158071","9.8028","0.0004","11.5069","0.0005","12.8022","0.0006","65.998","0.003","84.345","0.003","84.332","0.003","1310.06","0.1","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N O -","- C33 H30.905 N O -","- C66 H61.81 N2 O2 -","2","1","","He, Yuan; Zheng, Ting; Huang, Yin-Hui; Dong, Lin","Rh(III)-Catalyzed olefination to build diverse oxazole derivatives from functional alkynes.","Organic & biomolecular chemistry","2021","19","22","4937","4942","10.1039/d1ob00507c","","","1.54178","CuKα","","0.0659","0.0556","","","0.1616","0.1707","","","","","","1.112","","","","has coordinates,has disorder","267236","2021-07-05","18:12:09",""
"7158072","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Biswas, Rayhan G.; Ray, Sumit K.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Cu(I)-Catalyzed asymmetric <i>exo</i>-selective synthesis of substituted pyrrolidines <i>via</i> a 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2021","19","21","4685","4690","10.1039/d1ob00494h","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","266178","2021-06-05","19:30:06",""
"7158073","7.6699","0.0015","11.185","0.002","14.839","0.003","97.37","0.03","95.12","0.03","94.17","0.03","1252.9","0.4","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.061","0.0542","","","0.1092","0.1138","","","","","","1.081","","","","has coordinates,has disorder","301861","2025-08-22","11:13:10",""
"7158074","7.5652","0.0015","9.559","0.0019","32.515","0.007","90","","90","","90","","2351.3","0.8","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.1505","0.1261","","","0.2985","0.3277","","","","","","1.142","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158075","9.734","0.0019","11.144","0.002","25.686","0.005","90","","90","","90","","2786.3","0.9","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Cl N O6 S -","- C32 H26 Cl N O6 S -","- C128 H104 Cl4 N4 O24 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.0663","0.0593","","","0.1026","0.1063","","","","","","1.111","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158076","8.3195","0.0003","18.8155","0.0008","30.0395","0.0015","90","","90","","90","","4702.2","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br N4 O3 -","- C27 H23 Br N4 O3 -","- C216 H184 Br8 N32 O24 -","8","1","","Xu, Hui; Huang, Rong-Lu; Shu, Zhu; Hong, Ran; Zhang, Ze","Chemoselective synthesis of 5,4'-imidazolinyl spirobarbiturates <i>via</i> NBS-promoted cyclization of unsaturated barbiturates and amidines.","Organic & biomolecular chemistry","2021","19","22","4978","4985","10.1039/d1ob00508a","","","0.71073","MoKα","","0.0436","0.0324","","","0.0745","0.0796","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158077","10.1304","0.0012","16.9245","0.0019","19.35","0.002","90","","92.357","0.005","90","","3314.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O -","- C43 H32 N2 O -","- C172 H128 N8 O4 -","4","1","","Zhang, Wande; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Acid-catalyzed allenylation of pyrazolones with propargyl alcohols.","Organic & biomolecular chemistry","2021","19","22","4992","5001","10.1039/d1ob00592h","","","0.71073","MoKα","","0.1053","0.0527","","","0.1255","0.1464","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158079","16.51","0.05","7.4","0.02","16.74","0.05","90","","96","0.06","90","","2034","10","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O2 S -","- C24 H20 Br N O2 S -","- C96 H80 Br4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1201","0.0483","","","0.0968","0.1342","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158080","16.227","0.005","7.418","0.002","17.261","0.003","90","","96.413","0.018","90","","2064.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 I N O2 S -","- C24 H20 I N O2 S -","- C96 H80 I4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1224","0.0567","","","0.1456","0.1966","","","","","","0.967","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158081","8.0989","0.0018","34.797","0.01","7.681","0.0018","90","","107.3","0.016","90","","2066.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 S -","- C24 H20 Cl N O2 S -","- C96 H80 Cl4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1518","0.0686","","","0.1659","0.2188","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:13:10",""
"7158082","10.7761","0.0005","8.5009","0.0004","11.6925","0.0005","90","","112.539","0.002","90","","989.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H16 Cl N O S -","- C24 H16 Cl N O S -","- C48 H32 Cl2 N2 O2 S2 -","2","1","","Meng, Beibei; Shi, Qian; Meng, Yuan; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu","Asymmetric catalytic alkynylation of thiazolones and azlactones for synthesis of quaternary α-amino acid precursors.","Organic & biomolecular chemistry","2021","19","23","5087","5092","10.1039/d1ob00582k","","","1.54178","CuKα","","0.0229","0.0227","","","0.0607","0.0609","","","","","","1.038","","","","has coordinates","267251","2021-07-05","18:15:01",""
"7158083","9.4401","0.0002","9.786","0.0002","10.7338","0.0002","64.5184","0.001","74.1018","0.0011","69.7646","0.001","830.67","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0685","0.0451","","","0.1092","0.1243","","","","","","1.028","","","","has coordinates","267249","2021-07-05","18:14:43",""
"7158084","8.3301","0.0005","10.1313","0.0005","10.5314","0.0006","106.868","0.002","106.256","0.002","99.042","0.002","788.58","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","160628No1","160628No1","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0458","0.0389","","","0.1055","0.1112","","","","","","1.048","","","","has coordinates","267249","2021-07-05","18:14:49",""
"7158085","10.5776","0.0002","14.3577","0.0002","11.1685","0.0003","90","","115.979","0.003","90","","1524.77","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-5-methyl-2-phenylbenzo[e]pyrrolo[3,4-b]azepine-1,3(2H,3aH)-dione","","- C19 H13 F N2 O2 -","- C19 H13 F N2 O2 -","- C76 H52 F4 N8 O8 -","4","1","","Inyutina, Anna; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Tricyclic 2-benzazepines obtained <i>via</i> an unexpected cyclization involving nitrilium ylides.","Organic & biomolecular chemistry","2021","19","23","5068","5071","10.1039/d1ob00773d","","","1.54184","CuKα","","0.0388","0.0337","","","0.0816","0.0853","","","","","","1.033","","","","has coordinates","267246","2021-07-05","18:14:18",""
"7158086","9.8017","0.0007","10.5096","0.0006","10.5266","0.0009","89.694","0.006","63.187","0.008","89.901","0.005","967.76","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Jiang, Pengrui; Guo, Jingcheng; Gong, Minghua; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian; Huang, Wei","N-Heterocyclic carbene-catalyzed [3 + 3] annulation of bromoenals with 2-aminochromones to access chromeno[2,3-<i>b</i>]pyridinones.","Organic & biomolecular chemistry","2021","19","22","4882","4886","10.1039/d1ob00720c","","x-ray","0.71073","MoKα","","0.0803","0.0699","","","0.1832","0.1939","","","","","","1.016","","","","has coordinates","267234","2021-07-05","18:11:55",""
"7158087","26.9719","0.0007","26.9719","0.0007","11.6599","0.0003","90","","90","","120","","7346","0.3","150","0.2","150","0.2","","","","","","","","6","R 3 :H","R 3","146","","","","- C13 H21 Br N O3 P -","- C13 H21 Br N O3 P -","- C234 H378 Br18 N18 O54 P18 -","18","2","","Maleckis, Ansis; Herath, Iresha D.; Otting, Gottfried","Synthesis of <sup>13</sup>C/<sup>19</sup>F/<sup>2</sup>H labeled indoles for use as tryptophan precursors for protein NMR spectroscopy.","Organic & biomolecular chemistry","2021","19","23","5133","5147","10.1039/d1ob00611h","","x-ray","1.54184","CuKα","","0.0522","0.0512","","","0.1344","0.1357","","","","","","1.0281","","","","has coordinates","267252","2021-07-05","18:15:17",""
"7158088","7.6464","0.0002","30.7588","0.0009","5.878","0.0002","90","","90","","90","","1382.47","0.07","173","2","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0392","0.0341","","","0.0778","0.0813","","","","","","1.098","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158089","13.3693","0.0005","4.2733","0.0002","16.9207","0.0006","90","","90","","90","","966.7","0.07","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 I N2 -","- C11 H7 I N2 -","- C44 H28 I4 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0114","0.0111","","","0.028","0.0281","","","","","","1.027","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158090","14.3648","0.0011","14.4679","0.0012","8.6646","0.0007","90","","101.1","0.008","90","","1767.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl N4 O2 -","- C20 H17 Cl N4 O2 -","- C80 H68 Cl4 N16 O8 -","4","1","","Zhuge, Juanping; Jiang, Ziyang; Jiang, Wei; Histand, Gary; Lin, Dongen","Iodine-catalyzed oxidative functionalization of purines with (thio)ethers or methylarenes for the synthesis of purin-8-one analogues.","Organic & biomolecular chemistry","2021","19","23","5121","5126","10.1039/d1ob00118c","","x-ray","0.71073","MoKα","","0.0441","0.0366","","","0.0855","0.0903","","","","","","1.068","","","","has coordinates","267250","2021-07-05","18:14:55",""
"7158091","16.27079","0.00007","24.574","0.00009","28.66463","0.00011","112.948","0.0004","98.3767","0.0004","100.387","0.0003","10081.8","0.08","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","TPA-P6(n-He)","","- C116 H125 N13 O14 -","- C116 H125 N13 O14 -","- C464 H500 N52 O56 -","4","2","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.0803","0.0737","","","0.2094","0.2201","","","","","","1.029","","","","has coordinates,has disorder","267237","2021-07-05","18:12:43",""
"7158092","16.701","0.0002","20.4228","0.0002","24.065","0.0002","89.126","0.001","76.396","0.001","87.174","0.001","7968.08","0.14","170","0.15","170","0.15","","","","","","","","4","P -1","-P 1","2","","P6(i-Bu)","","- C171.26 H177.04 N24 O31.26 -","- C171.259 H177.036 N24 O31.259 -","- C342.518 H354.072 N48 O62.518 -","2","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.1276","0.1204","","","0.3199","0.3236","","","","","","1.058","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158093","10.3686","0.0001","31.9891","0.0003","31.1143","0.0002","90","","95.405","0.001","90","","10274.2","0.15","170","0.15","170","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104.58 H103.32 N13 O14.58 -","- C104.579 H103.316 N13 O14.579 -","- C418.316 H413.264 N52 O58.316 -","4","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.097","0.0862","","","0.2654","0.2779","","","","","","1.04","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158094","31.598","0.003","11.6057","0.0009","21.0251","0.0017","90","","129.356","0.002","90","","5961.7","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Br N3 O2 S -","- C35 H28 Br N O2 S -","- C280 H224 Br8 N8 O16 S8 -","8","1","","Chanda, Rupsa; Kar, Abhishek; Das, Aniruddha; Chakraborty, Baitan; Jana, Umasish","Iron-catalyzed carboarylation of alkynes <i>via</i> activation of π-activated alcohols: rapid synthesis of substituted benzofused six-membered heterocycles.","Organic & biomolecular chemistry","2021","19","23","5155","5160","10.1039/d1ob00488c","","","0.71073","MoKα","","0.0817","0.0467","","","0.1404","0.1649","","","","","","1.056","","","","has coordinates","267247","2021-07-05","18:14:26",""
"7158095","9.4903","0.0018","9.865","0.002","11.331","0.002","80.779","0.006","71.403","0.007","68.288","0.005","933","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N3 P -","- C21 H24 N3 P -","- C42 H48 N6 P2 -","2","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0567","0.0433","","","0.1074","0.1248","","","","","","1.078","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158096","11.8876","0.0013","11.8876","0.0013","27.431","0.002","90","","90","","120","","3357.1","0.6","110","2","110","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C12 H18 B12 I12 N6 Zn -","- C12 H18 B12 I12 N6 Zn -","- C36 H54 B36 I36 N18 Zn3 -","3","0.0833333","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0258","0.0212","","","0.0413","0.0433","","","","","","1.112","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158097","7.9597","0.0006","20.1364","0.0017","13.5168","0.001","90","","96.857","0.004","90","","2151","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 N3 P Zn -","- C21 H24 Cl2 N3 P Zn -","- C84 H96 Cl8 N12 P4 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.049","0.0327","","","0.0795","0.0961","","","","","","1.087","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158098","22.1697","0.0006","14.6015","0.0004","23.0686","0.0006","90","","105.685","0.001","90","","7189.5","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B12 I12 N6 P2 Zn -","- C42 H48 B12 I12 N6 P2 Zn -","- C168 H192 B48 I48 N24 P8 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0458","0.0329","","","0.0567","0.0605","","","","","","1.119","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158099","12.1783","0.0002","7.56305","0.00018","17.6627","0.0003","90","","90.5451","0.0016","90","","1626.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-bromo-4,7-dimethyl-2-phenyl-1H-indole-3-carboxylate","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Zhao, Lan; Qiu, Changfu; Zhao, Lixin; Yin, Guangwei; Li, Fangyi; Wang, Chunhua; Li, Zheng","Base-promoted, CBr<sub>4</sub>-mediated tandem bromination/intramolecular Friedel-Crafts alkylation of N-aryl enamines: a facile access to 1H- and 3H-indoles.","Organic & biomolecular chemistry","2021","19","24","5377","5382","10.1039/d1ob00731a","","x-ray","1.54184","CuKα","","0.0847","0.0641","","","0.1701","0.1987","","","","","","1.098","","","","has coordinates","267228","2021-07-05","18:10:36",""
"7158100","12.5895","0.0017","5.0682","0.0007","18.033","0.002","90","","92.174","0.002","90","","1149.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12.5 N O4 -","- C12 H12.413 N O4 -","- C48 H49.652 N4 O16 -","4","1","","Chen, Rongxiang; Jia, Ruo-Ling; Li, Wenbo; Zhao, Wei; Wang, Kai-Kai; Wang, Zhan-Yong; Ma, Xueji; Dai, Wei; Sun, Aili","A copper iodide-catalyzed coupling reaction of benzofuran-3(2H)-ones with amines: an approach to α-ketoamides.","Organic & biomolecular chemistry","2021","19","24","5294","5297","10.1039/d1ob00715g","","","0.71073","MoKα","","0.0603","0.041","","","0.1156","0.124","","","","","","1.09","","","","has coordinates,has disorder","267226","2021-07-05","18:10:21",""
"7158102","7.707","0.0001","17.6134","0.0002","22.5179","0.0002","90","","93.088","0.001","90","","3052.29","0.06","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 N2 O2 -","- C17 H12 Cl2 N2 O2 -","- C136 H96 Cl16 N16 O16 -","8","2","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0355","0.0305","","","0.0754","0.0777","","","","","","1.059","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7158103","4.6921","0.0001","21.3139","0.0007","14.5759","0.0004","90","","97.032","0.003","90","","1446.73","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0511","0.0404","","","0.0998","0.1052","","","","","","1.094","","","","has coordinates","267241","2021-07-05","18:13:20",""
"7158104","9.7145","0.0002","11.9901","0.0003","17.9234","0.0006","103.282","0.001","95.226","0.001","109.005","0.002","1889.6","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 B F9 N3 -","- C42 H41 B F9 N3 -","- C84 H82 B2 F18 N6 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0985","0.0779","","","0.1854","0.2064","","","","","","1.082","","","","has coordinates,has disorder","267243","2021-07-05","18:13:43",""
"7158105","20.6283","0.0007","8.916","0.0002","19.7224","0.0004","90","","90","","90","","3627.38","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 B F9 N3 -","- C41 H39 B F9 N3 -","- C164 H156 B4 F36 N12 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.1019","0.0781","","","0.181","0.2025","","","","","","1.097","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158106","13.5769","0.0002","17.0284","0.0004","23.6162","0.0005","90","","104.969","0.001","90","","5274.62","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0956","0.0618","","","0.136","0.1564","","","","","","1.033","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158107","13.3489","0.0004","16.9297","0.0006","23.6112","0.0008","90","","101.316","0.002","90","","5232.2","0.3","111","2","111","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","1.54178","CuKα","","0.1655","0.1005","","","0.1703","0.1945","","","","","","1.07","","","","has coordinates","267243","2021-07-05","18:13:44",""
"7158108","7.179","0.002","15.131","0.006","26.209","0.011","90","","92.737","0.016","90","","2843.7","1.8","150","2","150.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H26 Br N O4.5 -","- C32 H26 Br N O4.5 -","- C128 H104 Br4 N4 O18 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.1774","0.134","","","0.3476","0.3844","","","","","","1.399","","","","has coordinates,has disorder","268941","2021-09-06","12:29:56",""
"7158109","7.217","0.0007","15.068","0.0014","23.762","0.002","90","","90","","90","","2584","0.4","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O5 -","- C28 H24 Br N O5 -","- C112 H96 Br4 N4 O20 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.0589","0.0547","","","0.1386","0.1442","","","","","","1.089","","","","has coordinates","268941","2021-09-06","12:29:56",""
"7158110","9.5943","0.0007","13.0289","0.0008","13.5767","0.0009","90","","98.466","0.006","90","","1678.6","0.2","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Kim, Sunmi; Lee, Jeong Hwa; Yoon, Seok Hyun; Kim, Ikyon","A regioselective [4 + 2] annulation approach to 5-acylindolizine-7-carbonitriles: generation of poly-substituted pyridines.","Organic & biomolecular chemistry","2021","19","26","5806","5817","10.1039/d1ob00788b","","x-ray","0.71073","MoKα","","0.0783","0.0511","","","0.1114","0.1277","","","","","","1.048","","","","has coordinates","268940","2021-09-06","12:29:45",""
"7158111","8.607","0.0005","14.6316","0.0008","22.5134","0.0014","90","","90","","90","","2835.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-isopropyl-1-phenyl-2-(trifluoromethylsulfonyl)-1,2-dihydropyrazol-5-one","","- C13 H13 F3 N2 O3 S -","- C13 H13 F3 N2 O3 S -","- C104 H104 F24 N16 O24 S8 -","8","1","","Panigrahi, Ahwan; Muniraj, Nachimuthu; Prabhu, Kandikere Ramaiah","<i>N</i>-Triflination of pyrazolones: a new method for N-S bond formation.","Organic & biomolecular chemistry","2021","19","25","5534","5538","10.1039/d1ob00862e","","x-ray","0.71073","MoKα","","0.0401","0.0375","","","0.0923","0.0938","","","","","","1.153","","","","has coordinates","267238","2021-07-05","18:12:49",""
"7158112","13.4208","0.0012","26.557","0.002","8.6349","0.0009","90","","90","","90","","3077.6","0.5","223","2","223","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H16 F5 N O4 S -","- C10 H16 F5 N O4 S -","- C80 H128 F40 N8 O32 S8 -","8","1","","Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter","Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.","Organic & biomolecular chemistry","2021","19","25","5607","5623","10.1039/d1ob00870f","","","1.54178","CuKα","","0.0637","0.0574","","","0.1561","0.1643","","","","","","1.047","","","","has coordinates,has disorder","267239","2021-07-05","18:13:03",""
"7158113","9.9866","0.0006","10.417","0.0006","10.4938","0.0008","101.921","0.006","111.131","0.007","105.454","0.005","924.18","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0753","0.0622","","","0.1606","0.1732","","","","","","1.044","","","","has coordinates","268942","2021-09-06","12:30:08",""
"7158114","8.7888","0.0004","19.6193","0.0008","10.0883","0.0004","90","","109.798","0.005","90","","1636.71","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0566","0.044","","","0.1186","0.1261","","","","","","1.062","","","","has coordinates","268942","2021-09-06","12:30:11",""
"7158115","9.0953","0.0003","19.6563","0.0005","10.0974","0.0004","90","","109.55","0.004","90","","1701.14","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0542","0.0413","","","0.1059","0.1135","","","","","","1.067","","","","has coordinates","268942","2021-09-06","12:30:18",""
"7158116","14.147","0.002","5.4814","0.0008","18.975","0.003","90","","109.36","0.004","90","","1388.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H9 F O2 S2 -","- C17 H9 F O2 S2 -","- C68 H36 F4 O8 S8 -","4","1","","Mondal, Santa; Yashmin, Sabina; Ali, Rashid; Soundaram, R.; Ghosh, Siddhartha S.; Khan, Abu Taleb","Synthesis of biologically active fused 1,4-oxathiin derivatives from 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S coupling reactions.","Organic & biomolecular chemistry","2021","19","26","5818","5826","10.1039/d1ob00846c","","","0.71073","MoKα","","0.0839","0.0632","","","0.2129","0.236","","","","","","1.648","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7158117","9.4481","0.0004","10.3898","0.0005","17.997","0.0009","90","","96.944","0.004","90","","1753.7","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","2","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0629","0.0477","","","0.138","0.1557","","","","","","1.071","","","","has coordinates,has disorder","268938","2021-09-06","12:29:22",""
"7158118","8.6665","0.0005","9.0914","0.0005","20.0289","0.001","90","","90","","90","","1578.09","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0515","0.0447","","","0.1087","0.1158","","","","","","1.062","","","","has coordinates,has disorder","268938","2021-09-06","12:29:25",""
"7158119","5.9064","0.0003","18.7809","0.0008","7.4306","0.0004","90","","97.589","0.005","90","","817.04","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (4‒methylpyridin‒2‒yl)carbamate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0501","0.0411","","","0.1095","0.1159","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158120","4.8119","0.0002","10.5336","0.0004","10.7314","0.0004","114.87","0.004","94.157","0.004","90.003","0.003","491.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2,2‒Trifluoroethyl (4‒methylpyridin‒2‒yl)carbamate","","- C9 H9 F3 N2 O2 -","- C9 H9 F3 N2 O2 -","- C18 H18 F6 N4 O4 -","2","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0385","0.0366","","","0.1019","0.1039","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158121","11.9095","0.0002","7.9623","0.0001","25.3411","0.0004","90","","95.957","0.001","90","","2390.04","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2‒Methoxyethyl quinolin‒2‒ylcarbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0415","0.0383","","","0.0968","0.0992","","","","","","1.068","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158122","8.3092","0.0002","12.0788","0.0004","11.8379","0.0003","90","","92.429","0.003","90","","1187.05","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohexyl (4‒methylpyridin‒2‒yl)carbamate","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0465","0.0382","","","0.0975","0.1032","","","","","","1.047","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158123","7.9429","0.0002","12.4375","0.0002","12.8747","0.0003","87.653","0.002","74.488","0.002","87.068","0.002","1223.46","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (4‒methoxyquinolin‒2‒yl)carbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0404","0.0368","","","0.0985","0.1021","","","","","","1.085","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158124","6.4301","0.0005","7.7504","0.0006","14.974","0.0012","95.348","0.002","100.866","0.003","105.796","0.003","696.89","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C32 H24 F2 N2 O4 S2 -","2","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.1269","0.0836","","","0.211","0.2441","","","","","","1.009","","","","has coordinates","268918","2021-09-06","12:24:20",""
"7158125","7.752","0.0006","23.836","0.0019","5.6189","0.0005","90","","97.925","0.002","90","","1028.33","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F N O2 S -","- C10 H8 F N O2 S -","- C40 H32 F4 N4 O8 S4 -","4","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.0974","0.0776","","","0.16","0.1669","","","","","","1.146","","","","has coordinates","268918","2021-09-06","12:24:34",""
"7158126","7.71","0.0007","9.8223","0.001","16.1672","0.0013","90","","90","","90","","1224.34","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C52 H48 F4 N4 O16 -","4","1","","Banik, Swarnayu; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Enantioselective fluorination of 3-indolinone-2-carboxylates with NFSI catalyzed by chiral bisoxazolines.","Organic & biomolecular chemistry","2021","19","27","6085","6091","10.1039/d1ob00144b","","","0.71073","MoKα","","0.0789","0.0473","","","0.1133","0.1287","","","","","","1.048","","","","has coordinates","268919","2021-09-06","12:24:54",""
"7158130","17.8125","0.0012","17.8125","0.0012","8.4655","0.0011","90","","90","","120","","2326.1","0.4","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C17 H17 Cl2 N O -","- C17 H17 Cl2 N O -","- C102 H102 Cl12 N6 O6 -","6","1","","Wang, Fang; Liu, Xiaoli; Wang, Lei","Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.","Organic & biomolecular chemistry","2021","19","27","6141","6146","10.1039/d1ob00868d","","","0.71073","MoKα","","0.0413","0.0331","","","0.0816","0.0871","","","","","","0.929","","","","has coordinates","268920","2021-09-06","12:25:13",""
"7158131","7.2558","0.0007","9.8044","0.001","10.5031","0.001","99.055","0.004","105.174","0.004","103.419","0.004","682.24","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.0549","0.0466","","","0.1259","0.131","","","","","","1.105","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158132","24.406","0.002","5.0265","0.0004","9.4136","0.0008","90","","90","","90","","1154.83","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.039","0.0358","","","0.096","0.106","","","","","","1.193","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158133","6.7387","0.0001","9.5889","0.0001","44.6727","0.0004","90","","90","","90","","2886.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 Cl N8 O10 -","- C24 H35 Cl N8 O10 -","- C96 H140 Cl4 N32 O40 -","4","1","","Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.","Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.","Organic & biomolecular chemistry","2021","19","27","6147","6159","10.1039/d1ob00600b","","x-ray","1.54184","CuKα","","0.0349","0.0334","","","0.0828","0.0838","","","","","","1.037","","","","has coordinates","268922","2021-09-06","12:25:54",""
"7158134","15.6505","0.0004","4.3519","0.0001","17.2668","0.0005","90","","115.015","0.004","90","","1065.72","0.06","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C11.95 H13.9 O4 -","- C47.8 H55.6 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0554","0.0475","","","0.1307","0.1367","","","","","","1.077","","","","has coordinates,has disorder","268921","2021-09-06","12:25:41",""
"7158135","5.1015","0.0003","21.7906","0.0018","10.1611","0.0004","90","","102.619","0.005","90","","1102.27","0.12","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11.92 H13.91 O4 -","- C12 H13.976 O4 -","- C48 H55.904 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1707","0.1771","","","","","","1.101","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158136","10.3819","0.0006","12.0675","0.0007","12.3012","0.0006","70.999","0.005","84.623","0.005","83.524","0.005","1445.2","0.14","99.9","0.6","99.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C13 H19 O6.5 -","- C13 H19 O6.5 -","- C52 H76 O26 -","4","2","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0695","0.0633","","","0.2135","0.22","","","","","","1.073","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7158137","12.1797","0.0003","5.2729","0.0001","17.2041","0.0004","90","","99.215","0.002","90","","1090.63","0.04","99.98","0.16","99.98","0.16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O4 -","- C13 H13.85 O4 -","- C52 H55.4 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0502","0.0487","","","0.1253","0.1263","","","","","","1.125","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158138","23.3741","0.0004","13.2115","0.0002","17.727","0.0003","90","","100.781","0.001","90","","5377.6","0.15","99.9","0.6","99.9","0.6","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O13 -","- C26 H38 O13 -","- C208 H304 O104 -","8","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0734","0.0701","","","0.192","0.1945","","","","","","1.081","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158139","10.0138","0.0005","11.7765","0.0006","12.7363","0.0006","84.6324","0.0015","78.133","0.0015","84.1528","0.0016","1458.14","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C68 H66 N6 O10 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0512","","","0.1208","0.1367","","","","","","1.028","","","","has coordinates","268954","2021-09-06","12:34:40",""
"7158140","17.6658","0.0012","12.454","0.0008","26.766","0.002","90","","95.226","0.002","90","","5864.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C272 H264 N24 O40 -","8","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2613","0.1063","","","0.219","0.2918","","","","","","1.022","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158141","10.8318","0.0006","11.4013","0.0007","15.4837","0.0008","105.432","0.002","103.175","0.002","103.079","0.002","1708.8","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C68 H62 N6 O16 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1818","0.0946","","","0.2299","0.2804","","","","","","1.024","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158142","10.7954","0.0011","11.0062","0.001","13.5566","0.0012","68.256","0.003","87.382","0.003","86.599","0.003","1493","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cl2 N O4 -","- C34 H27 Cl2 N O4 -","- C68 H54 Cl4 N2 O8 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1288","0.0788","","","0.2039","0.2348","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158143","8.6348","0.0003","17.8206","0.0007","18.8901","0.0008","90","","94.7464","0.0013","90","","2896.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C132 H120 Cl4 N12 O20 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1118","0.1278","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158144","13.3152","0.0019","11.0682","0.0015","20.681","","90","0.004","96.176","0.004","90","","3030.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C136 H124 N12 O32 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1741","0.1208","","","0.2225","0.2476","","","","","","1.117","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158145","8.9596","0.0005","9.371","0.0006","19.8144","0.0011","99.221","0.0018","100.172","0.0017","96.4144","0.0019","1599.44","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N4 O7 -","- C33 H26 N4 O7 -","- C66 H52 N8 O14 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.096","0.0602","","","0.1498","0.1709","","","","","","1.015","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158146","12.1728","0.0016","13.4083","0.0018","22.278","0.003","86.724","0.004","89.748","0.004","78.705","0.004","3559.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O7 -","- C33 H30 N4 O7 -","- C132 H120 N16 O28 -","4","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2259","0.0987","","","0.2202","0.2709","","","","","","1.02","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158147","8.852","0.0007","18.3198","0.0015","18.4779","0.0017","90","","95.474","0.003","90","","2982.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O7 -","- C34 H33 N3 O7 -","- C136 H132 N12 O28 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2193","0.0681","","","0.1163","0.1593","","","","","","1.004","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158148","11.2751","0.0007","9.4901","0.0005","27.4393","0.0016","90","","96.132","0.002","90","","2919.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C136 H132 N12 O24 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1388","0.0571","","","0.1148","0.144","","","","","","1.009","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158149","16.8782","0.0003","17.0499","0.0003","19.0329","0.0004","90","","99.6071","0.0019","90","","5400.31","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N3 S2 -","- C14 H11 N3 S2 -","- C224 H176 N48 S32 -","16","2","","An, Zhenyu; Wang, Ting; Liu, Yafeng; Ren, Yi; Yan, Rulong","A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts.","Organic & biomolecular chemistry","2021","19","28","6206","6209","10.1039/d1ob00938a","","x-ray","1.54184","CuKα","","0.0459","0.0376","","","0.0978","0.1059","","","","","","1.052","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7158150","9.009","0.002","9.253","0.003","13.987","0.004","106.407","0.011","94.581","0.011","91.51","0.013","1113.4","0.5","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O3 S2 -","- C25 H23 N O3 S2 -","- C50 H46 N2 O6 S4 -","2","1","","Xie, Jianwei; Suleman, Muhammad; Wang, Zaibin; Mao, Xinfei; Mao, Beibei; Fan, Jiale; Lu, Ping; Wang, Yanguang","Syntheses of 4-allyl-/4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones <i>via</i> the photochemical Doyle-Kirmse reaction.","Organic & biomolecular chemistry","2021","19","28","6341","6345","10.1039/d1ob00859e","","","0.71073","MoKα","","0.0324","0.031","","","0.0816","0.0827","","","","","","1.058","","","","has coordinates","268959","2021-09-06","12:38:44",""
"7158151","10.61747","0.00019","13.02984","0.00015","10.52228","0.00016","90","","101.882","0.0016","90","","1424.5","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O7 S -","- C14 H11 N O7 S -","- C56 H44 N4 O28 S4 -","4","1","","Hawkins, Paige M. E.; Liu, Dennis Y.; Linington, Roger G.; Payne, Richard J.","Solid-phase synthesis of coralmycin A/<i>epi</i>-coralmycin A and desmethoxycoralmycin A.","Organic & biomolecular chemistry","2021","19","28","6291","6300","10.1039/d1ob01062j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0358","0.0344","","","0.0975","0.0992","","","","","","1.076","","","","has coordinates","268915","2021-09-06","12:23:38",""
"7158152","22.436","0.015","6.47","0.004","23.601","0.015","90","","98.711","0.009","90","","3386","4","100","2","100","2","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","TMSBTO2","2,5-is(trimethylsilyl)benzo[b]thiophene dioxide","","- C14 H22 O2 S Si2 -","- C14 H22 O2 S Si2 -","- C112 H176 O16 S8 Si16 -","8","1","","Nobuhara, Keita; Inagaki, Yusuke; Setaka, Wataru","Steric effects on the intramolecular charge transfer fluorescence of benzo[<i>b</i>]thiophene-1,1-dioxide bridged macrocages.","Organic & biomolecular chemistry","2021","19","28","6328","6333","10.1039/d1ob01050f","","","0.71075","MoKα","","0.0503","0.0451","","","0.1166","0.1209","","","","","","1.073","","","","has coordinates","268907","2021-09-06","12:18:44",""
"7158153","14.159","0.003","17.002","0.004","7.473","0.0016","90","","90","","90","","1799","0.7","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","1","","Zhang, Xiaomin; Yang, Jiali; Xiong, Ni; Han, Zhe; Duan, Xinhua; Zeng, Rong","Indium-mediated annulation of 2-azidoaryl aldehydes with propargyl bromides to [1,2,3]triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2021","19","28","6346","6352","10.1039/d1ob01183a","","","0.71073","MoKα","","0.0432","0.0328","","","0.0826","0.0901","","","","","","1.056","","","","has coordinates","268956","2021-09-06","12:36:10",""
"7158154","11.9277","0.0003","10.9677","0.0003","15.6981","0.0005","90","","97.067","0.003","90","","2038.02","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O4 S Si -","- C20 H26 O4 S Si -","- C80 H104 O16 S4 Si4 -","4","1","","Zhang, Ye; Guo, Jingcheng; Han, Jinna; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian","Bifunctional squaramide catalyzed asymmetric synthesis of chiral α-mercaptosilanes.","Organic & biomolecular chemistry","2021","19","29","6412","6416","10.1039/d1ob00981h","","x-ray","1.54184","CuKα","","0.0591","0.0459","","","0.1203","0.1279","","","","","","1.067","","","","has coordinates","268913","2021-09-06","12:23:17",""
"7158155","12.1633","0.0009","16.9191","0.0014","20.785","0.0016","90","","90","","90","","4277.4","0.6","273","2","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C192 H168 N24 O24 -","8","1","","Li, Wenhui; Xin, Jie; Zhai, Pingan; Lin, Jianying; Huang, Shuangping; Gao, Wenchao; Li, Xing","Access to highly functionalized imidazolones bearing α-amino acid esters <i>via</i> KOH-promoted annulation of amidines, nitrosoarenes and malonic esters.","Organic & biomolecular chemistry","2021","19","29","6473","6477","10.1039/d1ob00930c","","","0.71073","MoKα","","0.0976","0.0551","","","0.1267","0.1476","","","","","","1.045","","","","has coordinates","268912","2021-09-06","12:23:04",""
"7158156","7.5536","0.0003","15.5289","0.0006","19.9941","0.0007","90","","98.847","0.001","90","","2317.39","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N O -","- C26 H22 Cl N O -","- C104 H88 Cl4 N4 O4 -","4","1","","Clarke, Joshua J.; Devaraj, Karthik; Bestvater, Brian P.; Kojima, Ryoto; Eisenberger, Patrick; DeJesus, Joseph F.; Crudden, Cathleen M.","Hydrosilylation and Mukaiyama aldol-type reaction of quinolines and hydrosilylation of imines catalyzed by a mesoionic carbene-stabilized borenium ion.","Organic & biomolecular chemistry","2021","19","31","6786","6791","10.1039/d1ob01056e","","","0.71073","MoKα","","0.0532","0.0437","","","0.116","0.1219","","","","","","1.064","","","","has coordinates","268957","2021-09-06","12:36:40",""
"7158157","8.6611","0.0003","13.0943","0.0003","10.2975","0.0003","90","","110.729","0.003","90","","1092.25","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0275","0.0262","","","0.0617","0.0626","","","","","","1.035","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158158","6.8461","0.0001","15.7021","0.0003","21.1251","0.0004","90","","90","","90","","2270.91","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0419","0.0371","","","0.0831","0.0865","","","","","","1.054","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158159","21.3972","0.0003","14.6607","0.0002","6.86195","0.00011","90","","90","","90","","2152.58","0.05","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0355","0.0318","","","0.0709","0.0723","","","","","","1.075","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158160","8.2288","0.0005","10.1233","0.0006","25.6942","0.0015","90","","90","","90","","2140.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0622","0.0464","","","0.082","0.0873","","","","","","1.042","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158161","8.694","0.002","18.217","0.004","34.494","0.009","89.931","0.004","89.94","0.004","89.969","0.005","5463","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N4 O12 -","- C19 H30 N4 O12 -","- C152 H240 N32 O96 -","8","4","","Kulkarni, Pradnya; Datta, Dhrubajyoti; Ramabhadran, Raghunath O.; Ganesh, Krishna","Gem-dimethyl peptide nucleic acid (α/β/γ-<i>gdm</i>-PNA) monomers: synthesis and the role of <i>gdm</i>-substituents in preferential stabilisation of <i>Z</i>/<i>E</i>-rotamers.","Organic & biomolecular chemistry","2021","19","29","6534","6545","10.1039/d1ob01097b","","","0.71073","MoKα","","0.3769","0.1058","","","0.2067","0.3326","","","","","","0.912","","","","has coordinates","268909","2021-09-06","12:22:18",""
"7158162","9.0334","0.0002","8.7125","0.0002","12.1508","0.0003","90","","94.034","0.002","90","","953.94","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N5 O2 S2 -","- C17 H19 N5 O2 S2 -","- C34 H38 N10 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","0.71073","MoKα","","0.0452","0.0401","","","0.103","0.1091","","","","","","1.054","","","","has coordinates","268910","2021-09-06","12:22:33",""
"7158163","10.1096","0.0003","8.1557","0.0002","10.7216","0.0004","90","","110.545","0.004","90","","827.78","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C30 H32 N8 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","1.54184","CuKα","","0.0388","0.0379","","","0.0952","0.0965","","","","","","1.042","","","","has coordinates,has disorder","268910","2021-09-06","12:22:37",""
"7158164","12.3447","0.001","5.563","0.0005","17.4342","0.0015","90","","104.256","0.002","90","","1160.4","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.0859","0.0472","","","0.1126","0.127","","","","","","0.989","","","","has coordinates","268908","2021-09-06","12:19:38",""
"7158165","8.7747","0.0004","15.1721","0.0009","16.458","0.0009","72.036","0.002","88.944","0.002","84.345","0.002","2073.94","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H32 Br F12 N2 O2 P -","- C39 H32 Br F12 N2 O2 P -","- C78 H64 Br2 F24 N4 O4 P2 -","2","2","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.1529","0.1053","","","0.2673","0.3269","","","","","","1.008","","","","has coordinates,has disorder","268908","2021-09-06","12:19:45",""
"7158166","4.9637","0.0002","20.0442","0.0007","10.3335","0.0004","90","","101.298","0.004","90","","1008.19","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SM569","","- C8 H4 F3 I N2 O3 -","- C8 H4 F3 I N2 O3 -","- C32 H16 F12 I4 N8 O12 -","4","1","","Kobayashi, Yusuke; Masakado, Sota; Murai, Takuya; Hamada, Shohei; Furuta, Takumi; Takemoto, Yoshiji","A bench-stable N-trifluoroacetyl nitrene equivalent for a simple synthesis of 2-trifluoromethyl oxazoles.","Organic & biomolecular chemistry","2021","19","30","6628","6632","10.1039/d1ob00947h","","x-ray","1.54184","CuKα","","0.065","0.0641","","","0.1774","0.1789","","","","","","1.118","","","","has coordinates","268944","2021-09-06","12:30:53",""
"7158167","7.0451","0.0017","7.3918","0.0017","12.782","0.003","76.201","0.003","81.124","0.003","73.395","0.003","616.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","","Wu, Hao; Wang, Yi-Chun; Shatskiy, Andrey; Li, Qiu-Yan; Liu, Jian-Quan; Kärkäs, Markus D; Wang, Xiang-Shan","Modular synthesis of 3-substituted isocoumarins <i>via</i> silver-catalyzed aerobic oxidation/<i>6-endo</i> heterocyclization of <i>ortho</i>-alkynylbenzaldehydes.","Organic & biomolecular chemistry","2021","19","30","6657","6664","10.1039/d1ob01065d","","","0.71073","MoKα","","0.0507","0.0454","","","0.1218","0.1317","","","","","","1.082","","","","has coordinates","268943","2021-09-06","12:30:48",""
"7158168","15.006","0.006","6.157","0.002","27.288","0.01","90","","90","","90","","2521.2","1.6","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0898","0.0511","","","0.1295","0.1475","","","","","","1.084","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158169","9.806","0.003","11.637","0.003","9.954","0.003","90","","105.446","0.004","90","","1094.8","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0666","0.0459","","","0.131","0.1413","","","","","","1.0483","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158170","12.2987","0.0007","12.4224","0.0007","13.2018","0.0008","75.801","0.002","69.663","0.002","66.425","0.001","1720.08","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Br N4 O -","- C40 H33 Br N4 O -","- C80 H66 Br2 N8 O2 -","2","1","","Nawaz, Shah; Wei, Shiqiang; Huang, Yue; Wang, Wenyao; Qu, Jingping; Wang, Baomin","Diastereoselective synthesis of indolenine-based spiro[pyrazolone-4,2'-pyrrolidine] scaffolds via 1,3-dipolar cycloaddition of 4-aminopyrazolones, aldehydes, and indolenines.","Organic & biomolecular chemistry","2021","19","32","6964","6968","10.1039/d1ob01135a","","","0.71073","MoKα","","0.085","0.0494","","","0.1373","0.1582","","","","","","1.029","","","","has coordinates","268927","2021-09-06","12:26:50",""
"7158171","10.8036","0.0009","11.4967","0.0009","15.6103","0.0014","95.672","0.007","91.026","0.007","113.558","0.008","1765.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O3 P2 -","- C39 H32 O3 P2 -","- C78 H64 O6 P4 -","2","1","","Fan, Tao; Liu, Yan; Jiang, Caina; Xu, Yanli; Chen, Yanyan","A metal-free radical cascade reaction of phosphine oxides with 2-aryloxy phenylacetylenes to synthesize diphosphonyl xanthene derivatives.","Organic & biomolecular chemistry","2021","19","30","6609","6612","10.1039/d1ob01045j","","x-ray","0.71073","MoKα","","0.1062","0.0787","","","0.1988","0.22","","","","","","1.044","","","","has coordinates","268946","2021-09-06","12:31:16",""
"7158172","8.4116","0.0004","18.7873","0.001","12.526","0.0006","90","","98.829","0.005","90","","1956.04","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F I N O4 S -","- C19 H15 F I N O4 S -","- C76 H60 F4 I4 N4 O16 S4 -","4","1","","Habert, Loïc; Diachenko, Iryna; Retailleau, Pascal; Gillaizeau, Isabelle","Electrophile promoted cyclization of <i>ortho</i>-aryl substituted ynamides: construction of 3-amino-4-halo- or 4 seleno-isocoumarin derivatives.","Organic & biomolecular chemistry","2021","19","30","6623","6627","10.1039/d1ob01075a","","x-ray","0.71073","MoKα","","0.0524","0.0354","","","0.085","0.091","","","","","","1.043","","","","has coordinates,has disorder","268945","2021-09-06","12:31:05",""
"7158173","5.1089","0.0001","22.0087","0.0004","10.5605","0.0002","90","","99.571","0.002","90","","1170.9","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C56 H36 Cl4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0275","0.0259","","","0.0673","0.0683","","","","","","1.063","","","","has coordinates","268947","2021-09-06","12:31:54",""
"7158174","3.8797","0.0002","21.319","0.0014","14.8922","0.0009","90","","95.148","0.005","90","","1226.78","0.13","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C52 H32 Br4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0666","0.0595","","","0.149","0.154","","","","","","1.099","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158175","10.21","0.0002","13.0373","0.0002","18.718","0.0003","90","","103.054","0.002","90","","2427.18","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C104 H64 I8 N24 O8 -","8","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0357","0.0348","","","0.0967","0.0973","","","","","","1.18","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158176","3.7735","0.0001","10.1396","0.0002","29.0994","0.0006","90","","90.876","0.002","90","","1113.26","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0374","0.0348","","","0.0896","0.091","","","","","","1.064","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158177","12.7284","0.0003","6.7266","0.0002","14.4741","0.0004","90","","104.558","0.003","90","","1199.47","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C52 H32 I4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0385","0.0359","","","0.0994","0.1013","","","","","","1.091","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158178","3.846","0.0001","9.8013","0.0002","29.8606","0.0006","90","","93.485","0.002","90","","1123.54","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3act-Cl","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0425","0.0416","","","0.1167","0.1174","","","","","","1.046","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158179","3.7981","0.0001","11.5441","0.0002","25.4972","0.0004","90","","91.106","0.002","90","","1117.73","0.04","100","0.18","100","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1046","0.1059","","","","","","1.074","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158180","4.0845","0.0001","16.1979","0.0004","19.1245","0.0004","90","","95.784","0.002","90","","1258.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0367","0.0336","","","0.0815","0.0828","","","","","","1.11","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158181","5.2552","0.0001","15.3923","0.0003","16.4781","0.0003","90","","98.244","0.002","90","","1319.13","0.04","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0314","0.0261","","","0.0709","0.0732","","","","","","1.078","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158182","5.1974","0.0001","21.9187","0.0005","10.6585","0.0002","90","","100.577","0.002","90","","1193.59","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N2 O -","- C14 H9 Br N2 O -","- C56 H36 Br4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0256","0.0244","","","0.0664","0.0671","","","","","","1.058","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158183","6.7509","0.0001","9.2249","0.0002","10.2422","0.0002","112.512","0.002","93.859","0.002","97.72","0.002","578.97","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C26 H16 Br2 N6 O2 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0646","0.0648","","","","","","1.069","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158184","11.4106","0.0007","14.3958","0.0014","9.9664","0.0005","90","","94.167","0.006","90","","1632.8","0.2","293","2","293","2","","","","","","","NA","4","P 1 21/c 1","-P 2ybc","14","","2-(5-fluoro-2-(p-tolyl)-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile","","- C20 H11 F N4 -","- C20 H11 F N4 -","- C80 H44 F4 N16 -","4","1","","Chakraborty, Nikita; Dahiya, Anjali; Rakshit, Amitava; Modi, Anju; Patel, Bhisma K.","An expedient route to tricyanovinylindoles and indolylmaleimides from o-alkynylanilines utilising DMSO as a one-carbon synthon.","Organic & biomolecular chemistry","2021","19","31","6847","6857","10.1039/d1ob01086g","","","0.71073","MoKα","","0.1181","0.0521","","","0.1099","0.1383","","","","","","0.952","","","","has coordinates","268955","2021-09-06","12:35:22",""
"7158185","14.4732","0.0003","8.9061","0.0002","15.9214","0.0004","90","","109.314","0.002","90","","1936.76","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N2 O4 P -","- C18 H25 N2 O4 P -","- C72 H100 N8 O16 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0575","0.0534","","","0.138","0.1431","","","","","","1.075","","","","has coordinates","268948","2021-09-06","12:32:07",""
"7158186","12.3634","0.0007","10.7573","0.0006","15.9936","0.0008","90","","101.939","0.005","90","","2081.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N3 O2 P -","- C24 H20 N3 O2 P -","- C96 H80 N12 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0552","0.0426","","","0.1064","0.1167","","","","","","1.04","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158187","9.9066","0.0004","9.9454","0.0004","12.3415","0.0006","102.791","0.004","101.823","0.004","90.163","0.003","1159.14","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C52 H50 N4 O10 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0442","0.0417","","","0.113","0.1163","","","","","","1.043","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158188","12.9952","0.0005","11.0767","0.0005","15.1578","0.0006","90","","93.224","0.004","90","","2178.42","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N2 O2 P -","- C26 H25 N2 O2 P -","- C104 H100 N8 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0553","0.0416","","","0.1038","0.1128","","","","","","1.019","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158189","9","0.0005","11.1653","0.0008","12.3858","0.0007","115.027","0.007","91.058","0.005","113.01","0.006","1012.5","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N2 O2 P -","- C24 H21 N2 O2 P -","- C48 H42 N4 O4 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0593","0.0433","","","0.0999","0.1114","","","","","","1.03","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158190","9.32193","0.00005","15.92387","0.00009","17.03098","0.00008","90","","91.9636","0.0004","90","","2526.61","0.02","299.51","0.12","299.51","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C120 H100 O20 P4 -","4","1","","Zheng, Shi-Lu; Zou, Yun-Xiang; Wen, Zhong; Lin, Jia-Fu; Gu, Ling-Hui; Chen, Long","Y(OTf)<sub>3</sub>-catalyzed phosphorylation of 2H-chromene hemiacetals with P(O)-H compounds to 2-phosphorylated 2H-chromenes.","Organic & biomolecular chemistry","2021","19","31","6812","6816","10.1039/d1ob01221e","","x-ray","1.54184","CuKα","","0.0417","0.0398","","","0.1079","0.1095","","","","","","1.067","","","","has coordinates","268906","2021-09-06","12:18:37",""
"7158191","10.7889","0.0003","23.8675","0.0005","11.6684","0.0005","90","","113.658","0.004","90","","2752.14","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Lodhi, Rajni; Prakash, Meher; Samanta, Sampak","Diastereoselective desymmetrization reactions of prochiral para-quinamines with cyclopropenes generated in situ: access to fused hydroindol-5-one scaffolds.","Organic & biomolecular chemistry","2021","19","33","7129","7133","10.1039/d1ob01322j","","x-ray","1.54184","CuKα","","0.1249","0.1028","","","0.2615","0.302","","","","","","1.64","","","","has coordinates","268935","2021-09-06","12:28:43",""
"7158192","11.168","0.002","15.73","0.002","18.35","0.003","90","","105.575","0.013","90","","3105.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C136 H112 Cl8 N8 O32 -","8","2","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0595","0.0446","","","0.12","0.1303","","","","","","1.051","","","","has coordinates","268936","2021-09-06","12:28:51",""
"7158193","12.588","0.003","7.415","0.002","16.351","0.004","90","","100.998","0.018","90","","1498.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl O5 -","- C17 H13 Cl O5 -","- C68 H52 Cl4 O20 -","4","1","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0422","0.0359","","","0.095","0.1","","","","","","1.036","","","","has coordinates","268936","2021-09-06","12:28:54",""
"7158194","9.97","0.0003","11.919","0.0003","12.5827","0.0004","90","","90","","90","","1495.23","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71073","MoKα","","0.044","0.0407","","","0.1198","0.1239","","","","","","1.018","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7158195","10.2334","0.0013","12.1426","0.0015","12.2272","0.0015","115.446","0.004","93.73","0.004","103.262","0.004","1312","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","2","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0996","0.0494","","","0.1122","0.1323","","","","","","1.017","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7158196","8.9293","0.0005","10.0916","0.0006","18.8422","0.001","90","","96.1923","0.0016","90","","1687.98","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0622","0.0454","","","0.107","0.1149","","","","","","1.056","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158197","10.1542","0.0002","13.7673","0.0003","14.3456","0.0003","72.6361","0.0019","88.2388","0.0016","74.6748","0.0018","1843.48","0.07","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C76 H66 Cl4 I4 O2 P4 Rh2 -","2","1","","Okada, Masaki; Takeuchi, Katsuhiko; Matsumoto, Kazuhiro; Oku, Tomoharu; Choi, Jun-Chul","Hydroxycarbonylation of alkenes with formic acid using a rhodium iodide complex and alkyl ammonium iodide.","Organic & biomolecular chemistry","2021","19","40","8727","8734","10.1039/d1ob01060c","","","0.71073","MoKα","","0.0256","0.0247","","","0.0678","0.068","","","","","","1.305","","","","has coordinates","270507","2021-11-06","20:42:37",""
"7158198","8.6227","0.001","11.3588","0.0012","11.8411","0.0017","117.309","0.013","91.977","0.011","96.236","0.01","1019.7","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.1154","0.0936","","","0.2981","0.3188","","","","","","1.089","","","","has coordinates","268928","2021-09-06","12:27:05",""
"7158199","11.7193","0.0008","25.313","0.002","11.1041","0.001","90","","105.097","0.009","90","","3180.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl6 N3 O2 -","- C32 H27 Cl6 N3 O2 -","- C128 H108 Cl24 N12 O8 -","4","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","0.71073","MoKα","","0.0916","0.0668","","","0.1583","0.1756","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158200","11.5804","0.0004","12.1813","0.0006","12.9925","0.0005","101.203","0.004","101.376","0.003","103.039","0.003","1694.85","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Cl6 N3 O2 -","- C36 H29 Cl6 N3 O2 -","- C72 H58 Cl12 N6 O4 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.0564","0.0465","","","0.1186","0.1267","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158201","11.613","0.002","10.494","0.002","15.562","0.003","90","","91.952","0.006","90","","1895.4","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.064","0.0436","","","0.1065","0.1138","","","","","","1.087","","","","has coordinates","268958","2021-09-06","12:37:51",""
"7158202","9.8974","0.0002","9.9589","0.0003","11.7524","0.0003","90.477","0.002","106.658","0.002","116.051","0.002","984.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C42 H38 N2 O4 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0557","0.0457","","","0.1261","0.1339","","","","","","1.08","","","","has coordinates","268958","2021-09-06","12:37:56",""
"7158203","10.0494","0.0011","10.1081","0.001","10.9713","0.001","104.997","0.003","112.432","0.003","95.785","0.004","969.89","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C44 H36 Cl2 N2 O4 S2 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0402","0.0343","","","0.0882","0.0918","","","","","","1.048","","","","has coordinates","268958","2021-09-06","12:38:08",""
"7158204","20.5737","0.0008","6.0343","0.0002","14.7085","0.0008","90","","104.444","0.004","90","","1768.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0901","0.0555","","","0.1453","0.1692","","","","","","1.095","","","","has coordinates","268958","2021-09-06","12:38:16",""
"7158205","9.9875","0.0002","14.1732","0.0003","14.8341","0.0003","83.86","0.002","80.349","0.002","74.882","0.002","1994.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","2","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0852","0.0543","","","0.1371","0.1546","","","","","","1.086","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7158206","12.7742","0.0002","7.1824","0.0001","15.7199","0.0002","90","","90","","90","","1442.29","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I2 N2 -","- C12 H13.5 I2 N2 -","- C48 H54 I8 N8 -","4","0.5","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0222","0.0216","","","0.053","0.0535","","","","","","1.062","","","","has coordinates,has disorder","269785","2021-10-06","16:16:19",""
"7158207","8.3762","0.0004","14.1584","0.0007","14.0266","0.0007","90","","97.152","0.004","90","","1650.52","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 I N2 O3 S -","- C13 H14 F3 I N2 O3 S -","- C52 H56 F12 I4 N8 O12 S4 -","4","1","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.026","0.0252","","","0.0653","0.0659","","","","","","1.049","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158208","14.6499","0.0002","16.45897","0.00018","28.2119","0.0004","90","","95.483","0.0012","90","","6771.39","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 I2 N2 -","- C7 H12 I2 N2 -","- C168 H288 I48 N48 -","24","3","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0441","0.0423","","","0.1134","0.1154","","","","","","1.05","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158209","5.8983","0.0001","15.4491","0.0002","15.8136","0.0003","90","","90","","90","","1440.99","0.04","303","2","303","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O S2 -","- C15 H11 F2 N O S2 -","- C60 H44 F8 N4 O4 S8 -","4","1","","Zhang, Yifang; Wang, Qian; Peng, Yi; Gong, Haiying; Chen, Hua; Deng, Hongmei; Hao, Jian; Wan, Wen","Metal-free, oxidative decarboxylation of aryldifluoroacetic acid with the formation of the ArS-CF<sub>2</sub> bond.","Organic & biomolecular chemistry","2021","19","32","7024","7030","10.1039/d1ob01165k","","","1.54178","CuKα","","0.0292","0.0291","","","0.0902","0.0904","","","","","","1.065","","","","has coordinates","268925","2021-09-06","12:26:17",""
"7158210","10.2144","0.0002","15.935","0.0005","17.0604","0.0004","90","","90","","90","","2776.86","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H24 O2 S2 -","- C35 H24 O2 S2 -","- C140 H96 O8 S8 -","4","1","","Yue, Yuanyuan; Chao, Junli; Wang, Zhiyue; Yang, Yan; Ye, Yaqing; Sun, Chunying; Guo, Xiaohui; Liu, Jianming","Electrooxidative double C-H/C-H coupling of phenols with 3-phenylbenzothiophenes: facile access to benzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","33","7156","7160","10.1039/d1ob01208h","","","1.54184","CuKα","","0.094","0.0778","","","0.281","0.2921","","","","","","0.992","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7158211","11.359","0.003","12.15","0.003","19.406","0.005","90","","94.359","0.007","90","","2670.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3'R,4'S)-3'-(3,4-dimethoxyphenyl)-1''-phenyl-5'-thioxodispiro[indene-2,2'-pyrrolidine-4',3''-pyrrolidine]-1,4'',5''(3H)-trione","","- C29 H24 N2 O5 S -","- C29 H24 N2 O5 S -","- C116 H96 N8 O20 S4 -","4","2","","Hou, Xi-Qiang; Wen, Jiang-Bo; Yan, Li; Du, Da-Ming","Squaramide-catalysed asymmetric Michael addition/cyclization cascade reaction of 4-arylmethylidene-2,3-dioxopyrrolidines with 2-isothiocyanato-1-indanones.","Organic & biomolecular chemistry","2021","19","33","7181","7185","10.1039/d1ob01223a","","","0.71073","MoKα","","0.0998","0.0674","","","0.1654","0.18","","","","","","0.966","","","","has coordinates","268932","2021-09-06","12:28:11",""
"7158212","3.9964","0.0003","38.647","0.003","8.7063","0.0005","90","","97.942","0.003","90","","1331.78","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ali, Saghir; Khan, Abu T.","Metal-free synthesis of quinoline-2,4-dicarboxylate derivatives using aryl amines and acetylenedicarboxylates through a pseudo three-component reaction.","Organic & biomolecular chemistry","2021","19","32","7041","7050","10.1039/d1ob01188j","","","0.71073","MoKα","","0.086","0.0587","","","0.1844","0.2032","","","","","","1.262","","","","has coordinates","268926","2021-09-06","12:26:32",""
"7158213","17.7971","0.0005","10.5432","0.0003","10.0972","0.0003","90","","90.796","0.003","90","","1894.44","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0605","0.0551","","","0.1427","0.1484","","","","","","1.047","","","","has coordinates","268930","2021-09-06","12:27:37",""
"7158214","9.4667","0.0004","10.6302","0.0004","12.236","0.0004","97.174","0.003","111.174","0.003","92.35","0.003","1134.28","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0883","0.0912","","","","","","1.045","","","","has coordinates","268930","2021-09-06","12:27:49",""
"7158215","8.7634","0.0002","10.22041","0.00019","10.3147","0.0002","83.8073","0.0016","70.137","0.002","83.8485","0.0017","861.35","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C44 H32 Br2 N2 O4 -","2","1","","Aksenov, Alexander V.; Arutiunov, Nikolai A.; Kirilov, Nikita K.; Aksenov, Dmitrii A.; Grishin, Igor Yu; Aksenov, Nicolai A.; Wang, Huifen; Du, Liqin; Betancourt, Tania; Pelly, Stephen C.; Kornienko, Alexander; Rubin, Michael","[3 + 2]-Annulation of pyridinium ylides with 1-chloro-2-nitrostyrenes unveils a tubulin polymerization inhibitor.","Organic & biomolecular chemistry","2021","19","33","7234","7245","10.1039/d1ob01141c","","x-ray","1.54184","CuKα","","0.036","0.0345","","","0.0834","0.0845","","","","","","1.032","","","","has coordinates","268931","2021-09-06","12:28:00",""
"7158216","6.2068","0.0002","9.6747","0.0003","23.6894","0.0006","90","","90","","90","","1422.52","0.07","160","","160","","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0331","0.031","","","0.0733","0.075","","","","","","1.05","","","","has coordinates","268924","2021-09-06","12:26:10",""
"7158217","4.9824","0.0002","11.7685","0.0005","10.6674","0.0005","90","","101.617","0.002","90","","612.67","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","Rupestine D","Rupestine D","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0395","0.0383","","","0.1012","0.1025","","","","","","1.073","","","","has coordinates","268924","2021-09-06","12:26:11",""
"7158218","11.7384","0.001","5.679","0.005","12.3352","0.001","90","","116.405","0.018","90","","736.5","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 B F N2 O2 -","- C17 H14 B F N2 O2 -","- C34 H28 B2 F2 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0468","0.0381","","","0.1074","0.1424","","","","","","1.052","","","","has coordinates","268951","2021-09-06","12:33:28",""
"7158219","5.2329","0.0002","24.0253","0.0011","21.2592","0.001","90","","95.778","0.003","90","","2659.2","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","aPh-BFPh","","- C31 H26 B Cl2 F N2 O2 -","- C31 H26 B Cl2 F N2 O2 -","- C124 H104 B4 Cl8 F4 N8 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8","Synchrotron","","0.0427","0.0424","","","0.1136","0.114","","","","","","1.07","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158220","8.886","0.003","11.226","0.004","17.787","0.004","90.896","0.008","98.176","0.006","110.456","0.015","1641.5","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B F N2 O4.5 -","- C18 H14 B F N2 O4.5 -","- C72 H56 B4 F4 N8 O18 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0582","0.053","","","0.1467","0.15","","","","","","1.029","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158221","11.069","0.003","30.848","0.009","17.795","0.005","90","","91.689","0.007","90","","6074","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H30 B N2 O5.5 -","- C34.5 H30 B N2 O5.5 -","- C276 H240 B8 N16 O44 -","8","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.1126","0.0737","","","0.1903","0.213","","","","","","1.127","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158222","5.237","0.001","8.7976","0.0015","34.892","0.005","90","","91.923","0.01","90","","1606.7","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.2164","0.0867","","","0.17","0.227","","","","","","0.943","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158223","9.206","0.013","20.92","0.05","13.58","0.02","90","","98.09","0.17","90","","2589","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H69 B F N3 O6 -","- C44 H69 B F N3 O6 -","- C88 H138 B2 F2 N6 O12 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.0603","0.0544","","","0.1517","0.1714","","","","","","1.159","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158224","5.8897","0.0003","15.6222","0.0007","18.0449","0.0008","90","","96.961","0.003","90","","1648.07","0.13","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.0516","0.0457","","","0.1157","0.1194","","","","","","1.11","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158225","12.248","0.004","12.839","0.003","14.136","0.003","109.103","0.001","99.474","0.009","108.353","0.007","1902.8","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 B F N2 O5 -","- C20 H18 B F N2 O5 -","- C80 H72 B4 F4 N8 O20 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0396","0.0353","","","0.0966","0.0986","","","","","","1.082","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158226","12.2597","0.0005","18.3041","0.0007","15.13","0.0006","90","","90.384","0.003","90","","3395.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 B F N3 O4 -","- C34 H49 B F N3 O4 -","- C136 H196 B4 F4 N12 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.78201","Synchrotron","","0.1254","0.0719","","","0.1741","0.2276","","","","","","1.091","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158227","8.819","0.004","19.343","0.007","22.015","0.008","90","","90","","90","","3755","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 B Cl F N3 O2 -","- C41 H50 B Cl F N3 O2 -","- C164 H200 B4 Cl4 F4 N12 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0555","0.0451","","","0.1221","0.1281","","","","","","1.061","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158228","10.015","0.0008","11.0473","0.0013","18.5628","0.0016","88.109","0.009","76.917","0.005","87.736","0.01","1998.3","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 B Cl3 F N5 O2 -","- C46.003 H46 B Cl3 F N5 O2 -","- C92.006 H92 B2 Cl6 F2 N10 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.043","0.0369","","","0.1062","0.1091","","","","","","1.094","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158229","14.507","0.003","9.3436","0.0017","14.134","0.003","90","","90","","90","","1915.8","0.7","95","2","95","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C21 H19 B N2 O5 -","- C21 H19 B N2 O5 -","- C84 H76 B4 N8 O20 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8104","Synchrotron","","0.0552","0.0488","","","0.123","0.1302","","","","","","1.031","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158230","6.8865","0.0007","22.291","0.003","25.817","0.002","90","","90","","90","","3963.1","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 F N2 O3 -","- C26 H17 F N2 O3 -","- C208 H136 F8 N16 O24 -","8","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.0479","0.0378","","","0.097","0.1041","","","","","","1.038","","","","has coordinates","268950","2021-09-06","12:32:38",""
"7158231","17.799","0.003","9.2371","0.0019","18.139","0.003","90","","114.941","0.004","90","","2704.1","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C132 H104 N8 O16 -","4","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.2063","0.0629","","","0.1336","0.2023","","","","","","0.989","","","","has coordinates","268950","2021-09-06","12:32:49",""
"7158232","6.2951","0.0002","7.8493","0.0003","16.3441","0.0005","80.613","0.003","85.44","0.003","89.52","0.003","794.25","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0501","0.0464","","","0.131","0.1353","","","","","","1.074","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158233","5.3374","0.0001","17.4593","0.0002","16.6786","0.0002","90","","93.097","0.001","90","","1551.96","0.04","246","16","246","16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 S2 -","- C16 H18 N2 S2 -","- C64 H72 N8 S8 -","4","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0373","0.036","","","0.1026","0.1037","","","","","","1.047","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158234","8.253","0.0002","8.2551","0.0002","14.7902","0.0002","94.559","0.002","102.195","0.002","117.627","0.003","854.1","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0614","0.0602","","","0.1621","0.163","","","","","","1.038","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158235","16.1778","0.001","11.4254","0.0007","18.2577","0.0011","90","","90","","90","","3374.7","0.4","182","","182","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 O2 -","- C22 H17 F3 O2 -","- C176 H136 F24 O16 -","8","1","","Gao, Wangxi; Niu, Lixin; Wang, Tao; Liang, Yong; Wang, Ding; Zhang, Zunting","Synthesis of cis/trans-dihydrochromenones via a photoinduced rearrangement of 4-phenyl-3-aryl/cyclohexenylcoumarins.","Organic & biomolecular chemistry","2021","19","33","7176","7180","10.1039/d1ob01058a","","","0.71073","MoKα","","0.0387","0.0337","","","0.089","0.0931","","","","","","1.053","","","","has coordinates","268937","2021-09-06","12:29:00",""
"7158236","9.42743","0.00015","9.8509","0.0002","24.0927","0.0004","90","","90","","90","","2237.46","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Yang, Zinan; He, Huakang; Tian, Rui; Wu, Ruoran; Hu, Sheng; Wu, Yue; Zhou, Hui","A zinc/PyBisulidine catalyzed asymmetric Mannich reaction of N-tosyl imines with 3-acyloxy-2-oxindoles","Organic & Biomolecular Chemistry","2021","19","34","7460","7469","10.1039/D1OB01328A","","x-ray","1.54184","CuKα","","0.0561","0.0498","","","0.1295","0.1366","","","","","","1.041","","","","has coordinates","268953","2021-09-06","12:33:45",""
"7158237","6.4713","0.0009","9.6298","0.0012","48.285","0.007","90","","90","","90","","3009","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0418","0.0393","","","0.1197","0.1214","","","","","","0.969","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158238","6.5171","0.0003","9.8455","0.0006","48.456","0.003","90","","90","","90","","3109.1","0.3","302","2","302","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0908","0.0489","","","0.12","0.1455","","","","","","0.819","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158239","9.5302","0.0003","9.5302","0.0003","19.3236","0.0005","90","","90","","90","","1755.06","0.09","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Chen, Huiqing; Tang, Jie; Liu, Ting; Yu, Li-Fang; Xing, Dong; Yang, Fan","Enantioselective synthesis of chiral 3-alkyl-3-nitro-4-chromanones via chiral thiourea-catalysed intramolecular Michael-type cyclization.","Organic & biomolecular chemistry","2021","19","34","7403","7408","10.1039/d1ob01296g","","","1.54178","CuKα","","0.0307","0.029","","","0.0713","0.0726","","","","","","1.048","","","","has coordinates","268949","2021-09-06","12:32:25",""
"7158240","11.7188","0.0009","11.8757","0.0009","13.5901","0.001","90","","90","","90","","1891.3","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Br I N2 -","- C6 H10 Br I N2 -","- C48 H80 Br8 I8 N16 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0382","0.0263","","","0.061","0.0696","","","","","","1.111","","","","has coordinates","269786","2021-10-06","16:16:39",""
"7158241","15.7331","0.0003","13.3955","0.0003","23.5749","0.0005","90","","90","","90","","4968.47","0.18","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 I6 N4 -","- C12 H20 I6 N4 -","- C96 H160 I48 N32 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0371","0.0267","","","0.0573","0.0626","","","","","","1.051","","","","has coordinates,has disorder","269786","2021-10-06","16:16:39",""
"7158242","4.34","0.0009","25.45","0.005","11.54","0.002","90","","99.909","0.012","90","","1255.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N7 -","- C13 H9 N7 -","- C52 H36 N28 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.79313","synchrotron","","0.1306","0.0572","","","0.1423","0.1853","","","","","","1.013","","","","has coordinates","269769","2021-10-06","16:12:43",""
"7158243","7.2746","0.001","13.4066","0.0018","10.9808","0.0016","90","","95.693","0.003","90","","1065.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0718","0.049","","","0.1233","0.1388","","","","","","1.035","","","","has coordinates","269769","2021-10-06","16:12:53",""
"7158244","6.0935","0.0001","9.7182","0.0002","22.0737","0.0005","90","","90.354","0.001","90","","1307.13","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N5 -","- C17 H11 N5 -","- C68 H44 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0685","0.0472","","","0.1213","0.1382","","","","","","1.024","","","","has coordinates,has disorder","269769","2021-10-06","16:12:54",""
"7158245","12.4916","0.0003","14.1803","0.0003","18.3463","0.0005","90","","103.83","0.007","90","","3155.55","0.16","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 I2 O4 -","- C34 H28 I2 O4 -","- C136 H112 I8 O16 -","4","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0864","0.0705","","","0.1979","0.2089","","","","","","1.128","","","","has coordinates,has disorder","269789","2021-10-06","16:17:13",""
"7158246","23.5796","0.0015","15.5436","0.001","11.2836","0.0008","90","","102.796","0.007","90","","4032.9","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","0.5","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.1366","0.1266","","","0.3261","0.3326","","","","","","1.261","","","","has coordinates,has disorder","269789","2021-10-06","16:17:23",""
"7158247","10.913","0.004","7.442","0.003","16.072","0.005","90","","101.62","0.03","90","","1278.5","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C68 H56 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54178","CuKα","","0.2178","0.1184","","","0.2748","0.3523","","","","","","0.933","","","","has coordinates","269789","2021-10-06","16:17:28",""
"7158248","10.24137","0.00019","11.9283","0.0002","13.3381","0.0002","113.529","0.008","109.913","0.008","93.193","0.007","1369.46","0.15","104","","104","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 I O4 -","- C34 H29 I O4 -","- C68 H58 I2 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0365","0.0357","","","0.0915","0.092","","","","","","1.077","","","","has coordinates","269789","2021-10-06","16:17:37",""
"7158250","10.0469","0.0001","10.3794","0.0002","16.33","0.0003","90","","90","","90","","1702.91","0.05","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.0326","0.0308","","","0.0818","0.0831","","","","","","1.017","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158251","10.7269","0.0001","10.7269","0.0001","14.5422","0.0003","90","","90","","90","","1673.32","0.04","170","0.1","170","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.056","0.0574","","","","","","1.06","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158252","10.6034","0.0008","12.769","0.0011","10.619","0.0009","90","","110.867","0.009","90","","1343.5","0.2","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1017","0.0611","","","0.1172","0.1372","","","","","","1.061","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158253","9.8768","0.001","9.9849","0.0014","10.2735","0.0014","106.386","0.012","91.697","0.01","116.134","0.012","858.6","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 Cl N2 -","- C23 H15 Cl N2 -","- C46 H30 Cl2 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0975","0.0528","","","0.1062","0.1296","","","","","","1.021","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158254","9.9767","0.0011","10.2","0.0011","10.3359","0.0012","107.613","0.01","91.055","0.009","117.427","0.011","874.2","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C46 H30 N6 O4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1216","0.0626","","","0.1243","0.1541","","","","","","1.017","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158255","10.052","0.0009","10.4783","0.0011","18.7614","0.0015","90","","93.129","0.008","90","","1973.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl N2 -","- C25 H19 Cl N2 -","- C100 H76 Cl4 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0934","0.056","","","0.1132","0.1327","","","","","","1.035","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158256","9.9393","0.0011","10.0786","0.0016","10.2828","0.0011","106.688","0.012","91.551","0.009","116.591","0.013","867.6","0.2","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1015","0.0544","","","0.1159","0.1464","","","","","","1.05","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158257","13.1197","0.0004","15.7488","0.0005","16.2572","0.0005","103.53","0.0009","99.6156","0.0009","105.348","0.0009","3054.01","0.17","200","","200","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H71 N O14 S5 -","- C59 H71 N O14 S5 -","- C118 H142 N2 O28 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0395","0.038","","0.1041","0.1024","0.1038","","","","","","0.9754","","","","has coordinates,has disorder","269774","2021-10-06","16:13:45",""
"7158258","13.12948","0.00015","14.11541","0.00019","19.1344","0.0002","94.9881","0.001","105.935","0.001","114.83","0.0012","3010.41","0.08","95","","95","","","","101","","","","","5","P -1","-P 1","2","","","","- C55.3 H71.91 N3.3 O16.6 S5 -","- C55.3022 H71.9066 N3.3022 O16.6044 S5 -","- C110.604 H143.813 N6.6044 O33.2088 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54184","CuKα","","0.0299","0.0281","","0.0761","0.0745","0.0761","","","","","","0.9678","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158259","15.2602","0.001","15.3461","0.001","15.8961","0.001","111.084","0.002","108.289","0.002","93.047","0.002","3239.5","0.4","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 N4 O20 S5 -","- C58 H78 N4 O20 S5 -","- C116 H156 N8 O40 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","0.71073","MoKα","","0.0499","0.0408","","0.1083","0.1034","0.1083","","","","","","1.0078","","","","has coordinates","269774","2021-10-06","16:13:46",""
"7158260","15.8648","0.0005","13.9916","0.0003","19.6709","0.0006","90","","95.999","0.003","90","","4342.5","0.2","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O12 S4 -","- C42 H50 O12 S4 -","- C168 H200 O48 S16 -","4","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0392","0.0345","","0.0942","0.0898","0.0942","","","","","","0.9893","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158261","13.7779","0.0004","14.4703","0.0004","14.6125","0.0004","81.1803","0.0012","76.6391","0.001","63.6398","0.001","2535.42","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 O12 S5 -","- C48 H64 O12 S5 -","- C96 H128 O24 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0604","0.0523","","0.1406","0.1332","0.1406","","","","","","0.9935","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158262","36.302","0.008","17.985","0.004","8.873","0.002","90","","90","","90","","5793","2","293","2","293.06","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H32 O -","- C33 H32 O -","- C264 H256 O8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1704","0.0989","","","0.2551","0.3205","","","","","","0.995","","","","has coordinates,has disorder","269779","2021-10-06","16:15:30",""
"7158263","18.4643","0.0012","8.6875","0.0006","32.046","0.002","90","","90","","90","","5140.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H27 F -","- C35 H27 F -","- C280 H216 F8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1079","0.0524","","","0.1","0.1268","","","","","","1.078","","","","has coordinates,has disorder","269779","2021-10-06","16:15:31",""
"7158264","4.5418","0.0003","10.9707","0.0007","11.8989","0.0006","109.638","0.004","92.037","0.004","101.081","0.005","544.76","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C18 H28 Br2 N2 O6 -","2","1","","Chen, Xiao Yun; Yuan, Shuxia; Chen, Yan; Sun, Chenyang; Tang, Yaonan; Chen, Guang; Zhu, Baocheng; Chen, Kaiwei; Zheng, Shaojun; Cheng, Xiaofang","Solvent-controlled two-step one-pot syntheses of α-X (X = Br or Cl) enamino ketones/esters and 3-(2,5-dioxopyrrolidin-1-yl)acrylate by using terminal carbonyl alkynes.","Organic & biomolecular chemistry","2021","19","36","7914","7919","10.1039/d1ob01308d","","","0.71073","MoKα","","0.0451","0.0355","","","0.0907","0.0953","","","","","","1.038","","","","has coordinates","269778","2021-10-06","16:15:18",""
"7158265","8.8556","0.0003","6.92143","0.00019","9.428","0.0003","90","","111.887","0.004","90","","536.22","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0404","0.0399","","","0.1079","0.1086","","","","","","1.054","","","","has coordinates","268952","2021-09-06","12:33:37",""
"7158266","6.94293","0.00012","9.02763","0.00016","18.0531","0.0003","90","","90","","90","","1131.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0822","0.0824","","","","","","1.05","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158267","6.956","0.0002","8.4636","0.0003","19.6496","0.0006","90","","90","","90","","1156.83","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0374","0.0366","","","0.0984","0.0993","","","","","","1.055","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158268","6.8325","0.0003","15.642","0.0008","8.9374","0.0005","90","","92.861","0.005","90","","953.98","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C48 H36 N4 O2 S2 -","2","1","","Li, Chen-Yi; Xiang, Min; Zhang, Jian; Li, Wen-Sheng; Zou, Ying; Tian, Fang; Wang, Li-Xin","Organocatalytic enantioselective aza-Friedel-Crafts reaction between benzothiazolimines and 2-naphthols for the preparation of chiral 2'-aminobenzothiazolomethyl naphthols.","Organic & biomolecular chemistry","2021","19","35","7690","7694","10.1039/d1ob01443a","","x-ray","1.54184","CuKα","","0.0676","0.0566","","","0.1347","0.1433","","","","","","1.048","","","","has coordinates","269788","2021-10-06","16:16:55",""
"7158269","7.5321","0.0003","8.0983","0.0003","9.2836","0.0004","71.4315","0.0018","73.3773","0.0017","66.8118","0.0019","484.97","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C20 H28 N8 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","1.54178","CuKα","","0.0492","0.0459","","","0.1321","0.1352","","","","","","1.126","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158270","16.5743","0.0011","4.646","0.0003","12.7547","0.0009","90","","97.57","0.003","90","","973.61","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N4 O2 -","- C20 H30 N4 O2 -","- C40 H60 N8 O4 -","2","0.5","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.0699","0.0455","","","0.1177","0.1316","","","","","","1.034","","","","has coordinates,has disorder","269787","2021-10-06","16:16:49",""
"7158271","8.297","0.0003","9.2575","0.0003","15.0135","0.0005","87.5026","0.0018","80.0574","0.0019","64.7954","0.0017","1027.14","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.1287","0.0491","","","0.1221","0.1428","","","","","","1.035","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158272","8.7553","0.0002","6.4721","0.0003","28.2921","0.001","90","","97.357","0.003","90","","1589.98","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl F3 O2 S2 -","- C15 H12 Cl F3 O2 S2 -","- C60 H48 Cl4 F12 O8 S8 -","4","1","","Li, Jiuling; Li, Bin; Chen, Juan; Jia, Xinyu; Wang, Min; Hao, Chengjun; Zheng, Xinhua; Dai, Hongmei; Hu, Wenhao","Catalyst-free <i>gem</i>-chlorosulfurization of difluoromethyl-substituted diazo compounds with disulfide and PhICl<sub>2</sub>.","Organic & biomolecular chemistry","2021","19","37","8030","8034","10.1039/d1ob01422f","","x-ray","1.54184","CuKα","","0.0774","0.0565","","","0.1334","0.1449","","","","","","1.052","","","","has coordinates,has disorder","269771","2021-10-06","16:13:09",""
"7158273","7.7741","0.0004","11.2133","0.0006","13.2379","0.0007","71.466","0.001","74.538","0.001","81.457","0.001","1051.97","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(4-Bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl)-1H-indole-3-carboxylic acid","","- C22 H20 Br N O5 -","- C22 H20 Br N O5 -","- C44 H40 Br2 N2 O10 -","2","1","","Ramos-Orea, Aldahir; Ramírez-Apan, Teresa; Chávez-Santos, Rosa María; Aguayo-Ortiz, Rodrigo; Espitia, Clara; Silva Miranda, Mayra; Torres-Ochoa, Rubén O; Martínez, Roberto","Total syntheses and antiproliferative activities of prenostodione and its analogues.","Organic & biomolecular chemistry","2021","19","38","8272","8280","10.1039/d1ob00897h","","","0.71073","MoKα","","0.1013","0.0478","","","0.0897","0.1067","","","","","","1.011","","","","has coordinates","270513","2021-11-06","20:43:53",""
"7158274","6.2592","0.0003","14.9217","0.0007","13.9603","0.0005","90","","95.929","0.002","90","","1296.89","0.1","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F2 N2 O3 -","- C12 H10 F2 N2 O3 -","- C48 H40 F8 N8 O12 -","4","1","","Wang, Qian; Gong, Haiying; Zhang, Yifang; Peng, Yi; Chen, Hua; Li, Mingjie; Deng, Hongmei; Hao, Jian; Wan, Wen","Visible-light mediated stereospecific C(sp<sup>2</sup>)-H difluoroalkylation of (<i>Z</i>)-aldoximes.","Organic & biomolecular chemistry","2021","19","36","7867","7874","10.1039/d1ob01401c","","","0.71073","MoKα","","0.0963","0.0577","","","0.1573","0.1911","","","","","","1.041","","","","has coordinates","269780","2021-10-06","16:15:43",""
"7158275","7.2273","0.0005","10.1947","0.0006","10.5388","0.0007","90.94","0.002","96.739","0.002","101.524","0.002","754.96","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Peyonine","1-(3,4,5-trimethoxyphenethyl)-1H-pyrrole-2-carboxylic acid","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Rao, Maddali L. N.; Islam, Sk Shamim; Dasgupta, Priyabrata","Copper-catalyzed domino synthesis of ynamines.","Organic & biomolecular chemistry","2021","19","36","7855","7860","10.1039/d1ob01383a","","","0.71073","MoKα","","0.0698","0.0446","","","0.0973","0.1069","","","","","","1.032","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7158276","27.3068","0.0011","7.9003","0.0003","18.7137","0.0008","90","","108.028","0.001","90","","3838.9","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl N2 O4 -","- C21 H17 Cl N2 O4 -","- C168 H136 Cl8 N16 O32 -","8","1","","Ramaraju, Andhavaram; Upare, Atul; Blanch, Ewan W.; Maniam, Subashani; Sridhar, Balasubramanian; Bathula, Surendar Reddy; Raji Reddy, Chada","Chemoselective [3 + 2] annulation of oxime acetate with 2-aryl-3-ethoxycarbonyl-pyrroline-4,5-dione: an entry to pyrrolo[2,3-<i>b</i>]pyrrole derivatives.","Organic & biomolecular chemistry","2021","19","36","7875","7882","10.1039/d1ob00990g","","","0.71073","MoKα","","0.089","0.0808","","","0.2084","0.2161","","","","","","1.102","","","","has coordinates,has disorder","269783","2021-10-06","16:16:03",""
"7158277","19.2136","0.0002","10.6907","0.0001","8.1348","0.0001","90","","98.4","0.001","90","","1653.02","0.03","110","15","110","15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Liao, Shengrong; Xu, Huayan; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Lin, Xiuping; Liu, Yonghong","Gold-catalyzed oxidation of terminal alkynes to glyoxals and their reactions with 2-phenylimidazo[1,2-<i>a</i>]pyridines: one-pot synthesis of 1,2-diones.","Organic & biomolecular chemistry","2021","19","40","8735","8739","10.1039/d1ob01507a","","x-ray","1.54184","CuKα","","0.0421","0.0392","","","0.1096","0.1121","","","","","","1.068","","","","has coordinates","270508","2021-11-06","20:42:44",""
"7158278","25.3513","0.0005","13.438","0.0007","9.4134","0.0012","90","","90","","90","","3206.9","0.4","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","2","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1163","0.072","","","0.1638","0.2001","","","","","","1.026","","","","has coordinates,has disorder","269773","2021-10-06","16:13:29",""
"7158279","13.0488","0.0006","7.7427","0.0005","10.6551","0.0005","90","","90","","90","","1076.52","0.1","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.043","0.0295","","","0.0685","0.0732","","","","","","1.032","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158280","7.0872","0.0008","12.3506","0.0016","16.599","0.002","90","","90","","90","","1452.9","0.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1384","0.0471","","","0.0857","0.114","","","","","","0.964","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158281","4.787","0.007","13.87","0.02","21.66","0.02","72.77","0.05","90","","90","","1374","3","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","GSCBS5_265","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","2","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.5151","0.1342","","","0.2736","0.5038","","","","","","0.838","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7158282","8.4709","0.0003","9.983","0.0003","11.1522","0.0004","72.48","0.001","75.864","0.001","69.734","0.001","833.28","0.05","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.0734","0.0454","","","0.1116","0.1253","","","","","","1.039","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158283","8.2775","0.0007","5.2464","0.0005","17.4065","0.0011","90","","92.906","0.007","90","","754.94","0.11","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O -","- C17 H17 Br O -","- C34 H34 Br2 O2 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.122","0.0554","","","0.1538","0.2172","","","","","","0.977","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158284","10.3698","0.0004","12.1098","0.0005","29.2861","0.0012","90","","92.224","0.002","90","","3674.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 O2 -","- C21 H17 F3 O2 -","- C168 H136 F24 O16 -","8","2","","Priyanka, Chiliveru; Subbarao, Muppidi; Punna, Nagender","Palladium-catalyzed <i>ortho</i>-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-<i>b</i>]furans.","Organic & biomolecular chemistry","2021","19","38","8241","8245","10.1039/d1ob01429c","","","0.71073","MoKα","","0.1083","0.0671","","","0.181","0.2111","","","","","","1.04","","","","has coordinates","270515","2021-11-06","20:44:07",""
"7158285","7.0134","0.0004","7.0858","0.0005","15.5319","0.001","96.28","0.004","90.168","0.004","104.398","0.004","742.77","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N O2 S -","- C19 H11 N O2 S -","- C38 H22 N2 O4 S2 -","2","1","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.0806","0.0552","","","0.1578","0.1838","","","","","","0.837","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7158286","29.725","0.002","29.725","0.002","7.0358","0.0008","90","","90","","90","","6216.7","0.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C304 H224 N32 O32 -","16","1","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.1242","0.0587","","","0.1524","0.1871","","","","","","0.942","","","","has coordinates","269775","2021-10-06","16:14:05",""
"7158287","6.59045","0.00005","19.69096","0.00012","23.49012","0.00017","90","","90","","90","","3048.37","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H23 Br O6 -","- C35 H23 Br O6 -","- C140 H92 Br4 O24 -","4","2","","Yan, Juzhang; Zheng, Xiurong; Zheng, Yangqing; Zhan, Ruoting; Huang, Huicai","Asymmetric Michael reaction of 3-homoacyl coumarins with chromone-fused dienes toward enantioenriched coumarin chromone skeletons.","Organic & biomolecular chemistry","2021","19","37","8102","8107","10.1039/d1ob01200b","","x-ray","1.54184","CuKα","","0.0467","0.0453","","","0.1279","0.1293","","","","","","1.045","","","","has coordinates","269777","2021-10-06","16:14:21",""
"7158288","8.1289","0.0007","10.9783","0.0011","17.3875","0.0016","82.153","0.003","79.194","0.003","71.829","0.003","1443.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","2","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0623","0.0452","","","0.1072","0.1179","","","","","","1.035","","","","has coordinates","270501","2021-11-06","20:41:42",""
"7158289","8.275","0.006","9.736","0.009","16.38","0.015","90","","90","","90","","1320","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(pyridin-4-ylmethyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0378","0.0338","","","0.0897","0.0931","","","","","","1.077","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158290","7.6364","0.0012","24.214","0.004","8.2875","0.0013","90","","108.818","0.007","90","","1450.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2-methylbenzyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.113","0.0549","","","0.1033","0.1229","","","","","","1.034","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158291","7.061","0.003","16.611","0.008","19.595","0.009","65.759","0.01","87.399","0.011","80.205","0.01","2064.3","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C102 H90 N18 O6 -","6","3","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0865","0.051","","","0.1176","0.1402","","","","","","1.037","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158292","8.7091","0.0006","24.6511","0.0016","9.7352","0.0007","90","","94.492","0.003","90","","2083.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N6 O9 -","- C16 H26 N6 O9 -","- C64 H104 N24 O36 -","4","1","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.0561","0.0511","","","0.1429","0.148","","","","","","1.024","","","","has coordinates","270506","2021-11-06","20:42:14",""
"7158293","44.553","0.004","4.9317","0.0004","15.7652","0.0015","90","","90.399","0.006","90","","3463.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 N6 O4 -","- C32 H56 N6 O4 -","- C128 H224 N24 O16 -","4","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.1406","0.1242","","","0.2927","0.3011","","","","","","1.122","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158294","11.0587","0.0019","14.955","0.003","8.8548","0.0015","90","","101.133","0.002","90","","1436.9","0.5","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N6 O12 -","- C24 H40 N6 O12 -","- C48 H80 N12 O24 -","2","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","0.71073","MoKα","","0.1009","0.0512","","","0.1084","0.1334","","","","","","1.025","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158295","10.9301","0.0007","12.0124","0.0011","16.8138","0.0012","69.946","0.008","72.758","0.006","64.698","0.008","1845.4","0.3","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C80 H108 N12 O4 -","4","2","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.0883","0.081","","","0.245","0.2503","","","","","","1.048","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158296","7.80574","0.00008","34.1537","0.0003","9.6271","0.00009","90","","95.7493","0.0009","90","","2553.63","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N4 O3 S -","- C26 H36 N4 O3 S -","- C104 H144 N16 O12 S4 -","4","1","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.0799","0.0816","","","","","","1.022","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158297","9.3141","0.0001","7.60332","0.0001","20.7811","0.0002","90","0.0009","93.9407","0.0009","90","0.001","1468.2","0.03","297.4","0.3","297.4","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Radhakrishnan, Divya; Panigrahi, Adyasha; Peruncheralathan, S.","Triflic acid-mediated N-heteroannulation of β-anilino-β-(methylthio)acrylonitriles: a facile synthesis of 4-amino-2-(methylthio)quinolines.","Organic & biomolecular chemistry","2021","19","39","8544","8553","10.1039/d1ob01151k","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1172","0.1186","","","","","","1.038","","","","has coordinates","270505","2021-11-06","20:42:07",""
"7158298","11.069","0.002","19.863","0.004","14.418","0.003","90","","93.29","0.03","90","","3164.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","","- C31 H31 N7 O9 S2 -","- C31 H31 N7 O9 S2 -","- C124 H124 N28 O36 S8 -","4","1","","McNaughton, Daniel A.; Macreadie, Lauren K.; Gale, Philip A.","Acridinone-based anion transporters.","Organic & biomolecular chemistry","2021","19","44","9659","9674","10.1039/d1ob01545a","","","0.71073","synchrotron","","0.1187","0.1079","","","0.3095","0.3192","","","","","","1.034","","","","has coordinates,has disorder","271208","2021-12-07","03:50:10",""
"7158299","6.062","0.002","12.279","0.005","13.666","0.005","75.605","0.008","86.331","0.008","89.054","0.009","983.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(5S,10R)-8-(4-Bromophenyl)-6-imino-4-methyl-1-oxo-10-phenyl-2-oxa-3-azaspiro[4.5]deca-3,7-diene-7-carbonitrile","","- C22 H16 Br N3 O2 -","- C22 H16 Br N3 O2 -","- C44 H32 Br2 N6 O4 -","2","2","","Wang, Yu; Niu, Cheng; Xie, Dong-Hua; Du, Da-Ming","A bifunctional squaramide-catalysed enantioselective vinylogous Michael addition/cyclization cascade reaction of 4-unsaturated isoxazol-5-ones and α,α-dicyanoalkenes.","Organic & biomolecular chemistry","2021","19","39","8572","8577","10.1039/d1ob01256h","","","0.71073","MoKα","","0.1278","0.0433","","","0.0777","0.0977","","","","","","0.901","","","","has coordinates","303295","2025-11-13","08:15:17",""
"7158300","7.0824","0.0005","9.9984","0.0008","11.3089","0.0009","113.621","0.008","101.541","0.007","100.342","0.007","688.15","0.11","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","1","1","","Wang, Rui-Li; Jia, Shi-Kun; Guo, Ya-Jun; Yi, Yang; Hua, Yuan-Zhao; Lu, Hui-Jie; Wang, Min-Can","Dinuclear zinc-catalyzed enantioselective formal [3 + 2] cycloaddition of <i>N</i>-2,2,2-trifluoroethylisatin ketimines with low reactivity aurone derivatives.","Organic & biomolecular chemistry","2021","19","39","8492","8496","10.1039/d1ob01599k","","","1.54184","CuKα","","0.0595","0.0487","","","0.1188","0.1303","","","","","","1.028","","","","has coordinates","270502","2021-11-06","20:41:48",""
"7158301","10.0685","0.0003","10.1743","0.0003","20.3368","0.0006","90","","90","","90","","2083.3","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.076","0.0523","","","0.1299","0.1456","","","","","","1.029","","","","has coordinates","270493","2021-11-06","20:40:32",""
"7158302","10.1003","0.0003","10.1984","0.0003","20.2551","0.0005","90","","90","","90","","2086.42","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0834","0.0625","","","0.1803","0.1969","","","","","","1.067","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158303","10.1047","0.0002","10.1997","0.0003","20.2588","0.0005","90","","90","","90","","2087.97","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0837","0.0604","","","0.1758","0.1937","","","","","","1.079","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158304","10.0659","0.0002","10.174","0.0003","20.3251","0.0005","90","","90","","90","","2081.5","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.1279","0.1412","","","","","","1.059","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158305","9.8031","0.0005","12.4858","0.0006","14.4741","0.0008","90","","100.794","0.002","90","","1740.28","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C80 H80 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.042","0.0407","","","0.1097","0.1107","","","","","","1.053","","","","has coordinates","270512","2021-11-06","20:43:17",""
"7158306","9.8601","0.0003","11.9035","0.0003","15.2689","0.0004","90","","101.418","0.001","90","","1756.64","0.08","173","2","173.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O S2 -","- C20 H19 N O S2 -","- C80 H76 N4 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.0356","0.0343","","","0.0925","0.0937","","","","","","1.095","","","","has coordinates","270512","2021-11-06","20:43:18",""
"7158307","8.4201","0.0012","11.3961","0.0014","33.642","0.003","90","","95.484","0.01","90","","3213.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.2175","0.0829","","","0.12","0.1726","","","","","","0.8","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158308","10.3934","0.0001","18.0084","0.0003","17.5835","0.0003","90","","97.424","0.001","90","","3263.49","0.08","179.98","0.1","179.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1306","0.1393","","","","","","1.058","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158309","23.2429","0.0006","9.7717","0.0002","28.6043","0.0007","90","","94.72","0.002","90","","6474.7","0.3","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","221","","- C36 H31 Cl N2 O5 S2 -","- C36 H31 Cl N2 O5 S2 -","- C288 H248 Cl8 N16 O40 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.075","0.0538","","","0.136","0.1648","","","","","","1.085","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158310","9.0939","0.0016","30.322","0.004","11.9757","0.0013","90","","92.92","0.013","90","","3298","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.1548","0.0652","","","0.1238","0.1634","","","","","","0.983","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158311","10.8359","0.0002","11.1243","0.0003","17.4373","0.0004","86.651","0.002","78.773","0.002","67.019","0.002","1897.71","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C72 H58 Cl2 N4 O14 S4 -","2","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0851","0.0796","","","0.2302","0.2366","","","","","","1.048","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158312","28.3232","0.0011","11.8905","0.0003","26.1613","0.001","90","","114.144","0.004","90","","8039.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C288 H232 Cl8 N16 O56 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0861","0.0623","","","0.1783","0.1957","","","","","","1.108","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158313","21.0158","0.0008","10.2669","0.0003","18.2254","0.0006","90","","108.556","0.004","90","","3728","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.083","0.0609","","","0.1652","0.1793","","","","","","1.045","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158314","18.8089","0.0013","17.8043","0.0012","21.9597","0.0015","90","","90","","90","","7353.8","0.9","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H34 N4 O -","- C43 H32 N4 O -","- C344 H256 N32 O8 -","8","1","","Nawaz, Shah; Huang, Yue; Bao, Xiaoze; Wei, Shiqiang; Wei, Xingfu; Qu, Jingping; Wang, Baomin","Construction of a spiro[pyrazolone-4,2'-pyridoindole] scaffold <i>via</i> a [3 + 3] cycloaddition of 2-indolylmethanol with a 4-aminopyrazolone-derived azomethine ylide.","Organic & biomolecular chemistry","2021","19","39","8530","8538","10.1039/d1ob01631h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1451","0.1645","","","","","","1.069","","","","has coordinates","270503","2021-11-06","20:41:55",""
"7158315","13.9191","0.0004","12.836","0.0004","20.3504","0.0006","90","","106.316","0.001","90","","3489.49","0.18","193","2","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(S)-6-(2-benzhydryl-5-chloro-1H-indol-3-yl)-2-chloro-6-phenyl-5,6-dihydroindeno[2,1-b]indole","","- C43 H30 Cl4 N2 -","- C43 H30 Cl4 N2 -","- C172 H120 Cl16 N8 -","4","1","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.34139","GaKα","","0.0574","0.0497","","","0.1263","0.1325","","","","","","1.035","","","","has coordinates","271870","2022-01-06","21:57:35",""
"7158316","12.1173","0.0008","13.979","0.0009","17.7969","0.0007","78.96","0.004","80.192","0.005","68.596","0.006","2738","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(2-(bis(4-(trifluoromethyl)phenyl)methyl)-1H-indol-3-yl)-9-(trifluoromethyl)-6-(4-(trifluoromethyl)phenyl)-5,6-dihydroindeno[2,1-b]indole","","- C46 H26 F12 N2 -","- C92 H52 F24 N4 -","- C92 H52 F24 N4 -","1","0.5","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.54184","CuKα","","0.1291","0.0993","","","0.3321","0.3679","","","","","","1.289","","","","has coordinates,has disorder","271870","2022-01-06","21:57:35",""
"7158317","15.2822","0.0005","20.3116","0.0005","16.7995","0.0006","90","","117.084","0.005","90","","4642.8","0.3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Ca Cl3 I2 N8 O12 -","- C31 H53 Ca Cl3 I2 N8 O12 -","- C124 H212 Ca4 Cl12 I8 N32 O48 -","4","1","","Zhu, Jun; Wang, Xu-Dong; Luo, Jian; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian","Cation-chloride cotransport mediated by an ion pair transporter.","Organic & biomolecular chemistry","2021","19","39","8586","8590","10.1039/d1ob01617b","","","0.71073","MoKα","","0.0383","0.0338","","","0.0808","0.0828","","","","","","1.058","","","","has coordinates","270500","2021-11-06","20:41:31",""
"7158318","18.868","0.005","12.831","0.004","7.106","0.003","90","","93.222","0.013","90","","1717.6","1","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br F3 N O3 S -","- C17 H11 Br F3 N O3 S -","- C68 H44 Br4 F12 N4 O12 S4 -","4","1","","Su, Shixuan; Yan, Zhipeng; Ye, Xingyuan; Wang, Jingyang; Li, Yuan; He, Guangke","PhI(OAc)2-mediated trifluoromethylthiolation/oxidative cyclization of ynamides","Organic & Biomolecular Chemistry","2021","19","40","8746","8753","10.1039/D1OB01642C","","","0.71073","MoKα","","0.0885","0.0668","","","0.2057","0.2603","","","","","","1.062","","","","has coordinates","270510","2021-11-06","20:43:04",""
"7158319","5.516","0.001","19.977","0.003","30.8","0.01","90","","90","","90","","3393.9","1.4","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N4 O3 -","- C41 H42 N4 O3 -","- C164 H168 N16 O12 -","4","1","","Kozhemyakin, Grigory L.; Tyurin, Vladimir S.; Shkirdova, Alena O.; Belyaev, Evgeny S.; Kirinova, Ekaterina S.; Ponomarev, Gelii V.; Chistov, Alexey A.; Aralov, Andrey V.; Tafeenko, Victor A.; Zamilatskov, Ilya A.","Carbene functionalization of porphyrinoids through tosylhydrazones.","Organic & biomolecular chemistry","2021","19","42","9199","9210","10.1039/d1ob01626a","","","1.54186","CuKα","","0.3021","0.1405","","","0.3317","0.4249","","","","","","0.877","","","","has coordinates","270499","2021-11-06","20:41:24",""
"7158320","11.7785","0.0007","17.1967","0.0009","11.2241","0.0006","90","","115.786","0.008","90","","2047.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O2 P -","- C24 H24 N O2 P -","- C96 H96 N4 O8 P4 -","4","1","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0597","0.0429","","","0.1008","0.1157","","","","","","1.059","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158321","11.3292","0.0004","10.3205","0.0003","18.9713","0.0008","90","","106.63","0.004","90","","2125.4","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl2 N2 O2 P2 Pt -","- C48 H48 Cl2 N2 O2 P2 Pt -","- C96 H96 Cl4 N4 O4 P4 Pt2 -","2","0.5","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0361","0.026","","","0.0559","0.0614","","","","","","1.062","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158322","10.9106","0.0016","11.628","0.002","11.7739","0.0019","97.036","0.014","110.448","0.014","105.848","0.014","1306.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O5 S -","- C29 H27 N O5 S -","- C58 H54 N2 O10 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.1293","0.0691","","","0.1701","0.2161","","","","","","1.023","","","","has coordinates,has disorder","270498","2021-11-06","20:41:07",""
"7158323","8.3217","0.0011","10.3997","0.0014","15.418","0.002","84.83","0.002","78.631","0.002","85.649","0.002","1300.5","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","ss","","- C28 H25 N O5 S2 -","- C28 H25 N O5 S2 -","- C56 H50 N2 O10 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.0742","0.0615","","","0.1495","0.1605","","","","","","1.044","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158324","11.0425","0.0001","16.3615","0.0001","14.8646","0.0001","90","","102.389","0.001","90","","2623.08","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N O5 S -","- C29 H29 N O5 S -","- C116 H116 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0393","0.0354","","","0.1036","0.1069","","","","","","1.077","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158325","8.1947","0.0001","13.0078","0.0002","13.8955","0.0002","112.119","0.002","96.231","0.001","100.047","0.001","1326.27","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O7 S -","- C29 H27 N O7 S -","- C58 H54 N2 O14 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0448","0.041","","","0.114","0.1183","","","","","","1.06","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158326","11.7154","0.0001","12.1997","0.0001","18.576","0.0002","81.916","0.001","82.255","0.001","78.778","0.001","2562.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 N2 O10 S2 -","- C58 H58 N2 O10 S2 -","- C116 H116 N4 O20 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","","1.54184","CuKα","","0.0447","0.0397","","","0.1099","0.1133","","","","","","1.071","","","","has coordinates,has disorder","270498","2021-11-06","20:41:08",""
"7158327","12.8894","0.0007","13.1148","0.0007","14.7203","0.0008","90","","90","","90","","2488.3","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32.65 Cl Ir N O1.32 P -","- C27 H32.64 Cl Ir N O1.32 P -","- C108 H130.56 Cl4 Ir4 N4 O5.28 P4 -","4","1","","Dai, Zengjin; Pan, Ying-Min; Wang, Shou-Guo; Zhang, Xumu; Yin, Qin","Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(III) complexes bearing an amidato ligand.","Organic & biomolecular chemistry","2021","19","41","8934","8939","10.1039/d1ob01710a","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0682","0.0682","","","","","","1.092","","","","has coordinates","270496","2021-11-06","20:40:51",""
"7158328","6.5607","0.0001","7.5167","0.0002","28.7149","0.0006","90","","95.426","0.001","90","","1409.72","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0525","0.0457","","","0.0992","0.1019","","","","","","1.118","","","","has coordinates","270497","2021-11-06","20:40:58",""
"7158329","11.1401","0.0003","28.7617","0.0007","11.7457","0.0003","90","","90.521","0.001","90","","3763.26","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","4","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0343","0.0324","","","0.0805","0.0817","","","","","","1.025","","","","has coordinates,has disorder","270497","2021-11-06","20:40:58",""
"7158330","9.087","0.001","10.0635","0.0013","13.3909","0.0017","80.956","0.004","81.422","0.004","65.23","0.004","1093.3","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H22 Br N3 O S -","- C23 H22 Br N3 O S -","- C46 H44 Br2 N6 O2 S2 -","2","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0333","0.0264","","","0.0557","0.0595","","","","","","0.999","","","","has coordinates","270492","2021-11-06","20:40:22",""
"7158331","24.627","0.003","40.014","0.004","9.3291","0.0011","90","","90","","90","","9193.1","1.8","150","","150","","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C368 H320 Br16 N48 O16 S16 -","16","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0298","0.0276","","","0.0655","0.0664","","","","","","1.061","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158332","7.8822","0.0017","31.959","0.006","9.896","0.002","90","","121.156","0.007","90","","2133.3","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl N3 O3 S -","- C20 H28 Cl N3 O3 S -","- C80 H112 Cl4 N12 O12 S4 -","4","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0496","0.0407","","","0.0929","0.0972","","","","","","1.072","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158333","8.3093","0.0004","7.7536","0.0003","21.1019","0.0009","90","","94.235","0.002","90","","1355.82","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0402","0.0341","","","0.0976","0.1001","","","","","","1.03","","","","has coordinates","270494","2021-11-06","20:40:39",""
"7158334","12.1703","0.0004","8.7069","0.0003","17.7917","0.0006","90","","104.923","0.002","90","","1821.72","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O S -","- C21 H18 N4 O S -","- C84 H72 N16 O4 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0558","0.0386","","","0.1009","0.1076","","","","","","1.038","","","","has coordinates","270494","2021-11-06","20:40:40",""
"7158335","11.705","0.004","15.007","0.005","7.459","0.002","90","","105.239","0.003","90","","1264.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O4 S -","- C11 H9 I O4 S -","- C44 H36 I4 O16 S4 -","4","1","","Lu, Ling-Hui; Ou, Guangchuan; Zhao, Xiongjie; Wang, Yufei; Chen, Xuelian; Liao, Wenjun; Li, Shundan; Wu, Chao","Selective difunctionalization of electron-deficient alkynes: access to (<i>E</i>)-2-iodo-3-(methylthio)acrylate.","Organic & biomolecular chemistry","2021","19","37","8128","8132","10.1039/d1ob01287h","","","0.71073","MoKα","","0.0342","0.0289","","","0.0804","0.0838","","","","","","1.057","","","","has coordinates","269593","2021-10-05","21:04:46",""
"7158336","8.9489","0.0003","10.214","0.0002","29.3155","0.0006","90","","90","","90","","2679.56","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br2 N2 O4 S -","- C27 H26 Br2 N2 O4 S -","- C108 H104 Br8 N8 O16 S4 -","4","1","","Yang, Xiao-Peng; Lv, Hao-Peng; Yang, Hao-Di; Wang, Bai-Lin; Wang, Xing-Wang","Box-copper catalyzed cascade asymmetric amidation for chiral <i>exo</i>-methylene aminoindoline derivatives.","Organic & biomolecular chemistry","2021","19","43","9373","9378","10.1039/d1ob01242h","","","1.54184","CuKα","","0.0638","0.0614","","","0.1504","0.154","","","","","","1.125","","","","has coordinates","271215","2021-12-07","03:51:56",""
"7158337","8.1174","0.0006","18.2984","0.0012","12.9072","0.0008","90","","101.79","0.007","90","","1876.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl3 N6 O2 -","- C16 H17 Cl3 N6 O2 -","- C64 H68 Cl12 N24 O8 -","4","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.0959","0.0591","","","0.1612","0.2073","","","","","","1.048","","","","has coordinates","271232","2021-12-07","03:56:13",""
"7158338","7.9266","0.0005","8.4539","0.0006","15.2045","0.0009","86.573","0.005","89.013","0.005","65.02","0.007","921.87","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl3 N6 O2 -","- C16 H15 Cl3 N6 O2 -","- C32 H30 Cl6 N12 O4 -","2","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.1174","0.0703","","","0.1984","0.2439","","","","","","1.034","","","","has coordinates,has disorder","271232","2021-12-07","03:56:13",""
"7158339","7.4594","0.0004","11.112","0.0005","12.7546","0.0006","72.929","0.001","85.141","0.001","80.711","0.001","996.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 N O -","- C30 H19 N O -","- C60 H38 N2 O2 -","2","1","","Rao, Maddali L. N.; Islam, Sk Shamim","Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.","Organic & biomolecular chemistry","2021","19","41","9076","9080","10.1039/d1ob01765a","","","0.71073","MoKα","","0.055","0.043","","","0.103","0.1087","","","","","","1.065","","","","has coordinates","270495","2021-11-06","20:40:45",""
"7158340","18.8139","0.0012","13.3867","0.0006","15.4997","0.0009","90","","100.572","0.003","90","","3837.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F3 N3 O7 -","- C21 H14 F3 N3 O7 -","- C168 H112 F24 N24 O56 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.094","0.0537","","","0.1057","0.1195","","","","","","1.05","","","","has coordinates","271217","2021-12-07","03:52:21",""
"7158341","15.718","0.002","13.4294","0.0019","24.95","0.003","90","","90","","90","","5266.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H21 F3 N2 O5 -","- C27 H21 F3 N2 O5 -","- C216 H168 F24 N16 O40 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1609","0.087","","","0.2044","0.2534","","","","","","1.008","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158342","10.8152","0.0008","16.2213","0.0011","32.017","0.002","90","","93.774","0.002","90","","5604.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24.5 Cl2 F3 N2 O5 -","- C29 H24.5 Cl2 F3 N2 O5 -","- C232 H196 Cl16 F24 N16 O40 -","8","2","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1291","0.076","","","0.1813","0.2095","","","","","","1.004","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7158343","9.1811","0.0002","9.9659","0.0002","14.9148","0.0004","85.493","0.002","80.059","0.002","63.776","0.003","1205.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C60 H56 N4 O6 -","2","1","","Liu, Chao; Zhao, Ruiqi; Song, Liangliang; Li, Zhenghua; Tian, Guilong; He, Yi; Van Meervelt, Luc; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Palladium-catalyzed post-Ugi arylative dearomatization/Michael addition cascade towards plicamine analogues.","Organic & biomolecular chemistry","2021","19","44","9752","9757","10.1039/d1ob01805a","","x-ray","0.71073","MoKα","","0.0583","0.047","","","0.1133","0.1204","","","","","","1.075","","","","has coordinates","271206","2021-12-07","03:49:52",""
"7158344","13.4998","0.0006","21.9675","0.0008","7.6004","0.0003","90","","101.456","0.005","90","","2209.05","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C96 H80 Br8 N24 -","8","2","","Gupta, Shiv Shankar; Manisha, ?; Kumar, Rakesh; Dhiman, Ankit Kumar; Sharma, Upendra","Predictable site-selective functionalization: Promoter group assisted <i>para</i>-halogenation of <i>N</i>-substituted <b>(</b>hetero<b>)</b>aromatics under metal-free condition.","Organic & biomolecular chemistry","2021","19","44","9675","9687","10.1039/d1ob02000e","","x-ray","1.54184","CuKα","","0.0522","0.0399","","","0.098","0.1121","","","","","","1.042","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7158345","15.2432","0.0013","6.8557","0.0004","19.6543","0.0015","90","","99.415","0.007","90","","2026.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O -","- C23 H26 N4 O -","- C92 H104 N16 O4 -","4","1","","Soam, Pooja; Gaba, Hashmita; Mandal, Debasish; Tyagi, Vikas","A Pd-catalyzed one-pot cascade consisting of C-C/C-O/N-N bond formation to access benzoxazine fused 1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","45","9936","9945","10.1039/d1ob01539g","","x-ray","0.71073","MoKα","","0.0831","0.0559","","","0.1361","0.161","","","","","","1.08","","","","has coordinates","271228","2021-12-07","03:55:36",""
"7158346","19.2668","0.0006","10.713","0.0004","7.8156","0.0002","90","","90","","90","","1613.18","0.09","295.7","0.4","295.7","0.4","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Jia, Ruo-Ling; Liu, Qing-Ling; Yang, Long-Wei; Deng, Shi; Song, Yang","[6 + 3] Annulations of Morita-Baylis-Hillman carbonates and dicyanoheptafulvene.","Organic & biomolecular chemistry","2021","19","45","9867","9871","10.1039/d1ob00854d","","x-ray","1.54184","CuKα","","0.0607","0.0573","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","271225","2021-12-07","03:54:28",""
"7158347","11.631","0.002","14.557","0.003","15.796","0.003","90","","90","","90","","2674.5","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","","Xu, Zhaoliang; Hu, Yu; Wang, Lei; Sun, Mingli; Li, Pinhua","Merging cobalt and photoredox catalysis for the C8-H alkoxylation of 1-naphthylamine derivatives with alcohols.","Organic & biomolecular chemistry","2021","19","46","10112","10119","10.1039/d1ob01721g","","","0.71073","MoKα","","0.1003","0.0436","","","0.0937","0.1143","","","","","","1.001","","","","has coordinates","271220","2021-12-07","03:53:17",""
"7158348","10.646","0.002","11.634","0.003","12.087","0.003","101.823","0.013","109.747","0.01","91.715","0.013","1371.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","benzyl (E)-2-((4-(benzyloxy)-4-oxobut-2-en-2-yl)oxy)-7-ethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C33 H29 N O7 -","- C33 H29 N O7 -","- C66 H58 N2 O14 -","2","1","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.125","0.0422","","","0.0985","0.11","","","","","","1.028","","","","has coordinates","271212","2021-12-07","03:51:07",""
"7158349","8.708","0.002","13.624","0.004","17.004","0.005","66.753","0.006","79.781","0.007","88.762","0.007","1821.5","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Benzyl 2-hydroxy-8,10-dimethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C88 H76 N4 O24 -","4","2","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.1917","0.0946","","","0.1675","0.1941","","","","","","1.025","","","","has coordinates","271212","2021-12-07","03:51:10",""
"7158350","8.3925","0.0006","11.705","0.0009","23.1584","0.0019","90","","90","","90","","2274.9","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5aa","","- C11 H9 F3 N2 O S -","- C11 H9 F3 N2 O S -","- C88 H72 F24 N16 O8 S8 -","8","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.137","0.0724","","","0.0811","0.1043","","","","","","0.997","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158351","7.6104","0.0012","7.8056","0.0014","12.0015","0.0019","90.867","0.002","102.061","0.002","115.696","0.003","623.71","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","8","","- C11 H8 Br F3 N2 O S -","- C11 H8 Br F3 N2 O S -","- C22 H16 Br2 F6 N4 O2 S2 -","2","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.0693","0.0527","","","0.1167","0.1262","","","","","","1.071","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158352","13.6962","0.0003","13.6338","0.0002","9.271","0.0002","90","","104.983","0.003","90","","1672.33","0.06","150","0.18","150","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0675","0.056","","","0.1415","0.1521","","","","","","1.042","","","","has coordinates","271210","2021-12-07","03:50:27",""
"7158353","8.1181","0.0002","13.6649","0.0004","17.6062","0.0006","108.557","0.003","100.746","0.002","95.887","0.002","1791.4","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H59 Cl N4 O3 -","- C34 H59 Cl N4 O3 -","- C68 H118 Cl2 N8 O6 -","2","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0562","0.0422","","","0.105","0.1145","","","","","","1.034","","","","has coordinates","271210","2021-12-07","03:50:39",""
"7158354","42.9415","0.0011","6.2417","0.0002","13.2277","0.0003","90","","94.68","0.002","90","","3533.57","0.17","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C168 H184 N24 O32 -","8","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0471","0.0397","","","0.0943","0.099","","","","","","1.029","","","","has coordinates","271210","2021-12-07","03:50:41",""
"7158355","13.5595","0.0002","7.5471","0.0001","18.0224","0.0003","90","","106","0.002","90","","1772.87","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.042","0.0362","","","0.0869","0.0911","","","","","","1.0359","","","","has coordinates","271205","2021-12-07","03:49:42",""
"7158356","13.0854","0.0003","7.50448","0.00014","22.3639","0.0005","90","","92.532","0.002","90","","2193.97","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.033","0.0303","","","0.0787","0.0805","","","","","","1.044","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158357","8.3206","0.0001","10.3874","0.0001","20.7185","0.0001","90","","90","","90","","1790.69","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0928","0.0932","","","","","","1.028","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158358","8.9201","0.0003","27.3837","0.0009","9.5899","0.0003","90","","109.369","0.004","90","","2209.9","0.14","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0827","0.0845","","","","","","1.064","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158359","10.2285","0.0003","10.2285","0.0003","31.7311","0.001","90","","90","","90","","3319.78","0.17","101","2","101","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","0.5","","Liu, Shuai; Zhang, Cui-Shan; Ran, Xiao-Qian; Tang, Xiao-Han; Guo, Ya-Rong; Yan, Ying; Yao, Yong-Gang; Hao, Xiao-Jiang; Luo, Rong-Can; Di, Ying-Tong","Perforalactones D and E, two new C-20 quassinoids with potential activity to induce lysosomal biogenesis from the twigs of <i>Harrisonia perforata</i> (Blanco) Merr.","Organic & biomolecular chemistry","2021","19","44","9637","9640","10.1039/d1ob01927a","","","1.54178","CuKα","","0.0575","0.0575","","","0.1702","0.1702","","","","","","1.12","","","","has coordinates","271213","2021-12-07","03:51:16",""
"7158360","10.957","0.0004","29.1941","0.001","8.9667","0.0003","90","","101.076","0.003","90","","2814.84","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O5 S -","- C31 H23 Br N2 O5 S -","- C124 H92 Br4 N8 O20 S4 -","4","1","","Zheng, Yi; Zhang, Ting-Ting; Shen, Wen-Bo","Gold-catalyzed oxidative cyclization of amide-alkynes: access to functionalized γ-lactams.","Organic & biomolecular chemistry","2021","19","44","9688","9691","10.1039/d1ob01846a","","x-ray","1.54184","CuKα","","0.0727","0.0485","","","0.1186","0.1328","","","","","","1.038","","","","has coordinates","271209","2021-12-07","03:50:16",""
"7158361","10.5525","0.0009","10.5881","0.0009","11.4412","0.0006","102.568","0.006","105.923","0.006","105.637","0.007","1123.59","0.17","293.3","0.1","293.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","","1.54184","CuKα","","0.1039","0.0838","","","0.2422","0.2708","","","","","","1.046","","","","has coordinates","271231","2021-12-07","03:56:06",""
"7158362","20.8005","0.0006","5.76195","0.00016","37.1847","0.0013","90","","98.257","0.003","90","","4410.4","0.2","293.32","0.1","293.32","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.067","0.0546","","","0.1536","0.1664","","","","","","1.041","","","","has coordinates,has disorder","271231","2021-12-07","03:56:07",""
"7158363","10.6249","0.0004","10.6722","0.0005","11.3614","0.0005","105.317","0.004","102.94","0.004","105.98","0.004","1131.72","0.1","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","2","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.0822","0.0713","","","0.2089","0.2322","","","","","","1.068","","","","has coordinates","271231","2021-12-07","03:56:07",""
"7158364","17.4753","0.0017","11.4632","0.0011","26.206","0.002","90","","99.65","0.004","90","","5175.4","0.8","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl N3 O5 -","- C26 H38 Cl N3 O5 -","- C208 H304 Cl8 N24 O40 -","8","1","","Xu, Zan-Xin; Li, Bin; Tian, Ying; Li, Min; Dong, Jun-Xing; Zhang, Guang-Jie","Pentacyclic spermidine alkaloids with radioprotective and anti-inflammatory activities from <i>Orychophragmus violaceus</i>.","Organic & biomolecular chemistry","2021","19","45","9844","9848","10.1039/d1ob01973b","","","1.34139","GaKα","","0.0451","0.036","","","0.0879","0.0951","","","","","","1.029","","","","has coordinates","271229","2021-12-07","03:55:46",""
"7158365","9.8457","0.0007","19.1932","0.0016","17.0462","0.0014","90","","101.212","0.002","90","","3159.7","0.4","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","TPEA","2,6,9,10-tetrakis(phenylethynyl)anthracene","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0911","0.0586","","","0.1501","0.1746","","","","","","1.056","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158366","6.0741","0.0008","11.2759","0.0016","14.146","0.002","99.128","0.005","96.304","0.005","105.017","0.004","912.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TTMSEA","(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(trimethylsilane)","","- C34 H42 Si4 -","- C34 H42 Si4 -","- C34 H42 Si4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0662","0.0436","","","0.113","0.1232","","","","","","1.038","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158367","4.6663","0.0005","14","0.0016","14.5094","0.0017","75.898","0.004","83.094","0.004","83.357","0.004","908.96","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TMPEA","2,6,9,10-tetrakis((2-methoxyphenyl)ethynyl)anthracene","","- C50 H34 O4 -","- C50 H34 O4 -","- C50 H34 O4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0978","0.047","","","0.1239","0.1609","","","","","","0.762","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158368","9.2771","0.0009","9.6139","0.0008","14.3349","0.0014","71.119","0.003","86.812","0.004","61.782","0.003","1058.66","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TDMAEA","4,4',4'',4'''-(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(N,N-dimethylaniline)","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1111","0.0562","","","0.1555","0.1939","","","","","","0.869","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158369","11.162","0.003","11.978","0.003","15.916","0.004","90","","90","","90","","2127.9","0.9","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1,4-di(anthracen-9-yl)buta-1,3-diyne","1,4-di(anthracen-9-yl)buta-1,3-diyne","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1641","0.0719","","","0.2009","0.2674","","","","","","0.79","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158370","14.929","0.003","11.922","0.003","10.529","0.002","90","","92.393","0.007","90","","1872.4","0.7","296","2","296","2","","","","","","","","2","P 1 c 1","P -2yc","7","TTEA","2,6,9,10-tetrakis(p-tolylethynyl)anthracene","","- C50 H34 -","- C50 H34 -","- C100 H68 -","2","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1812","0.0836","","","0.1984","0.2604","","","","","","1.026","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158371","14.104","0.0006","15.1682","0.0009","24.3684","0.0012","90","","102.661","0.002","90","","5086.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F3 O2 -","- C22 H13 F3 O2 -","- C264 H156 F36 O24 -","12","3","","Zeng, Piaopiao; Huang, Xiaoxiao; Tang, Wei; Chen, Zhiwei","Copper-catalyzed cascade radical cyclization of alkynoates: construction of aryldifluoromethylated coumarins.","Organic & biomolecular chemistry","2021","19","46","10223","10227","10.1039/d1ob01754c","","","0.71073","MoKα","","0.0856","0.0479","","","0.0954","0.1133","","","","","","1.031","","","","has coordinates","271218","2021-12-07","03:52:52",""
"7158373","6.70863","0.00006","31.0104","0.0003","6.93722","0.00007","90","","110.2","0.001","90","","1354.44","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C60 H56 Br4 N4 O16 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","x-ray","1.54184","CuKα","","0.0257","0.0247","","","0.0675","0.0681","","","","","","1.101","","","","has coordinates","271227","2021-12-07","03:55:28",""
"7158374","9.2023","0.0003","10.58","0.0003","20.2538","0.0005","90","","101.586","0.0008","90","","1931.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","","0.71073","MoKα","","0.0596","0.0466","","","0.1198","0.1298","","","","","","1.056","","","","has coordinates","271227","2021-12-07","03:55:29",""
"7158375","9.7637","0.0019","28.138","0.005","10.943","0.002","90","","104.379","0.003","90","","2912.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-((1R,4R)-4-(4-methoxyphenyl)-1'-methyl-2'-oxo-3-phenylspiro[cyclopentane-1,3'-indolin]-2-en-2-yl)-N,4-dimethylbenzenesulfonamide","","- C34 H32 N2 O4 S -","- C34 H32 N2 O4 S -","- C136 H128 N8 O16 S4 -","4","1","","Zhang, Dongxin; Cheng, Qihang; Chen, Lvjia; Deng, Huiqing; Cai, Hu; Zhang, Qian-Feng","Lewis acid-catalyzed [3 + 2] annulations of oxindole based spirocyclic donor-acceptor cyclopropanes with ynamides.","Organic & biomolecular chemistry","2021","19","44","9645","9648","10.1039/d1ob01922h","","","0.71073","MoKα","","0.0715","0.0457","","","0.1305","0.1534","","","","","","0.9","","","","has coordinates","271214","2021-12-07","03:51:33",""
"7158376","8.7388","0.0001","8.7377","0.0001","15.3935","0.0003","90","","105.809","0.002","90","","1130.94","0.03","100.01","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","","- C8 H11 N5 O3 S -","- C8 H11 N5 O3 S -","- C32 H44 N20 O12 S4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","","1.54184","CuKα","","0.0439","0.0382","","","0.0905","0.0937","","","","","","1.089","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158377","7.5838","0.0001","9.8117","0.0001","12.8968","0.0001","102.553","0.001","92.841","0.001","111.32","0.001","863.837","0.018","101","1","101","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C38 H44 N8 O2 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0342","0.0333","","","0.0911","0.0918","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158378","10.9788","0.0001","14.7369","0.0001","22.0879","0.0002","90","","90","","90","","3573.68","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C152 H176 N32 O24 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0355","0.0325","","","0.0831","0.085","","","","","","1.06","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158379","7.3232","0.0001","19.6029","0.0002","10.4905","0.0002","90","","107.845","0.002","90","","1433.52","0.04","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","","- C13 H14 N4 O S2 -","- C13 H14 N4 O S2 -","- C52 H56 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0323","0.0317","","","0.1202","0.1228","","","","","","1.137","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158380","8.5045","0.0003","9.797","0.0004","11.9453","0.0005","108.084","0.004","100.023","0.003","101.754","0.003","895.65","0.07","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0754","0.0668","","","0.1822","0.2014","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158381","19.7981","0.0003","7.6021","0.0001","16.1604","0.0003","90","","124.601","0.002","90","","2002.05","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-dimethyl-3-pyridyl-oxoverdazyl","1,5-dimethyl-3-pyridyl-oxoverdazyl","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C72 H104 N40 O8 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0401","0.0388","","","0.1038","0.105","","","","","","1.084","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158382","4.931","0.0001","19.1334","0.0006","20.4301","0.0006","90","","90","","90","","1927.51","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C80 H88 N16 O8 S4 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.1463","0.1355","","","0.2605","0.2648","","","","","","1.279","","","","has coordinates,has disorder","271222","2021-12-07","03:53:41",""
"7158383","18.9089","0.0003","11.613","0.0002","10.5619","0.0002","90","","90.812","0.002","90","","2319.04","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","","- C25 H22 N4 O S2 -","- C25 H22 N4 O S2 -","- C100 H88 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0923","0.0939","","","","","","1.063","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158384","11.4529","0.0003","10.4903","0.0003","12.3136","0.0004","90","","98.94","0.002","90","","1461.44","0.07","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O -","- C15 H16 N6 O -","- C60 H64 N24 O4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.07","0.0646","","","0.1917","0.2096","","","","","","1.116","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158385","7.7803","0.0002","9.3559","0.0003","14.8204","0.0004","90","","90.009","0.003","90","","1078.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N3 O4 -","- C22 H20 Cl N3 O4 -","- C44 H40 Cl2 N6 O8 -","2","1","","Kaur, Banni Preet; Sharma, Vivek; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Low catalyst loading enabled organocatalytic synthesis of chiral bis-heterocyclic frameworks containing pyrazole and isoxazole.","Organic & biomolecular chemistry","2021","19","45","9910","9924","10.1039/d1ob01313k","","x-ray","0.71073","MoKα","","0.0806","0.0561","","","0.1366","0.17","","","","","","1.087","","","","has coordinates","271230","2021-12-07","03:55:56",""
"7158386","5.5102","0.0005","9.087","0.0009","25.588","0.003","90","","90","","90","","1281.2","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C48 H68 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0772","0.057","","","0.1429","0.1783","","","","","","1.0116","","","","has coordinates","271226","2021-12-07","03:55:10",""
"7158387","5.6852","0.0003","9.4367","0.0004","12.6134","0.0006","77.963","0.004","77.679","0.004","76.073","0.004","632.8","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C24 H32 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0884","0.0501","","","0.1116","0.1374","","","","","","1.001","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158388","6.6874","0.0006","17.3402","0.0014","11.9242","0.0011","90","","96.885","0.008","90","","1372.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F3 N2 O2 -","- C13 H19 F3 N2 O2 -","- C52 H76 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1202","0.0645","","","0.1707","0.2292","","","","","","1.006","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158389","13.671","0.002","5.8015","0.0008","18.074","0.002","90","","93.43","0.014","90","","1430.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 F3 N O4 -","- C13 H20 F3 N O4 -","- C52 H80 F12 N4 O16 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","","0.71073","MoKα","","0.1629","0.0703","","","0.1661","0.2356","","","","","","1.002","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158390","5.4368","0.0006","8.606","0.0007","12.6785","0.0011","93.198","0.007","100.084","0.008","92.872","0.008","582.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 F3 N O3 -","- C11 H14 F3 N O3 -","- C22 H28 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.109","0.0564","","","0.1207","0.1697","","","","","","1.011","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158391","11.7168","0.001","11.9298","0.0013","12.1371","0.0012","70.519","0.009","89.748","0.007","79.574","0.008","1570.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 F3 N2 O2 -","- C17 H19 F3 N2 O2 -","- C68 H76 F12 N8 O8 -","4","2","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1978","0.0742","","","0.1604","0.2399","","","","","","0.984","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158392","17.7173","0.0016","5.9455","0.0008","24.594","0.003","90","","101.644","0.01","90","","2537.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C96 H128 F24 N8 O24 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1039","0.0642","","","0.1575","0.1922","","","","","","1.034","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158393","12.8729","0.0014","12.6636","0.0014","15.6817","0.0015","90","","90","","90","","2556.4","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C96 H136 F24 N16 O16 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1237","0.0584","","","0.1554","0.2194","","","","","","1.008","","","","has coordinates,has disorder","271226","2021-12-07","03:55:21",""
"7158394","10.2653","0.0009","9.7195","0.0012","19.2671","0.0017","90","","104.837","0.009","90","","1858.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F3 N3 O2 -","- C19 H22 F3 N3 O2 -","- C76 H88 F12 N12 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1534","0.0635","","","0.1454","0.2223","","","","","","1.0099","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158395","11.9566","0.0004","13.9478","0.0011","8.1538","0.0003","90","","105.607","0.003","90","","1309.66","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Gupta, Manish K.; Jena, Chinmay K.; Sharma, Nagendra K.","Pd-Catalyzed C(sp<sup>2</sup>)-H olefination: synthesis of <i>N</i>-alkylated isoindolinone scaffolds from aryl amides of amino acid esters.","Organic & biomolecular chemistry","2021","19","46","10097","10104","10.1039/d1ob01997j","","","1.54184","CuKα","","0.042","0.0386","","","0.1124","0.1156","","","","","","1.082","","","","has coordinates","271219","2021-12-07","03:53:04",""
"7158396","7.2215","0.0003","8.8635","0.0004","9.7122","0.0004","91.354","0.001","92.014","0.001","92.341","0.002","620.56","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Zhang, Zhu-Zhu; Sun, Cai-Ling; Zhang, Xiao-Hong; Zhang, Xing-Guo","Base-promoted thioannulation of <i>o</i>-alkynyl oxime ethers with sodium sulfide for the general synthesis of isothiocoumarins.","Organic & biomolecular chemistry","2021","19","46","10174","10180","10.1039/d1ob02012a","","","0.71073","MoKα","","0.0416","0.0375","","","0.107","0.1117","","","","","","1.066","","","","has coordinates","271223","2021-12-07","03:53:48",""
"7158399","7.472","0.002","10.98","0.003","12.17","0.004","115.159","0.012","102.06","0.013","95.668","0.013","863.7","0.5","298.22","","298.22","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C44 H34 N2 O2 S2 -","2","1","","Khan, Tabassum; Rajesh, Pallava; Arun, Doma; Yaragorla, Srinivasarao","Stereoselective sulfenylation of oxindole-derived propargyl alcohols to access sulfenylated-3-alkenyloxindoles.","Organic & biomolecular chemistry","2021","19","46","10201","10209","10.1039/d1ob01921j","","","0.71073","MoKα","","0.1915","0.0779","","","0.1371","0.164","","","","","","1.076","","","","has coordinates","271224","2021-12-07","03:53:53",""
"7158400","8.3651","0.0008","13.6367","0.0013","25.424","0.003","90","","90","","90","","2900.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.0459","0.0361","","","0.0793","0.0861","","","","","","1.014","","","","has coordinates","271871","2022-01-06","21:57:42",""
"7158401","8.631","0.003","11.371","0.004","29.685","0.011","90","","90","","90","","2913.4","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.1559","0.0846","","","0.1943","0.233","","","","","","1.041","","","","has coordinates,has disorder","271871","2022-01-06","21:57:42",""
"7158402","11.8848","0.0001","12.8057","0.0001","21.212","0.0003","90","","90","","90","","3228.32","0.06","99.9","0.3","99.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl3 N3 O6 P -","- C26.999 H40.999 Cl2.997 N3 O6 P -","- C107.996 H163.996 Cl11.988 N12 O24 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Unruh, Daniel; Surowiec, Kazimierz; Li, Guigen","Asymmetric synthesis of functionalized 2,3-dihydrobenzofurans using salicyl <i>N</i>-phosphonyl imines facilitated by group-assisted purification (GAP) chemistry.","Organic & biomolecular chemistry","2021","19","47","10319","10325","10.1039/d1ob02078a","","x-ray","1.54184","CuKα","","0.0361","0.0323","","","0.08","0.0828","","","","","","1.055","","","","has coordinates,has disorder","271869","2022-01-06","21:57:27",""
"7158403","4.5957","0.0003","22.3241","0.0011","14.097","0.0009","90","","92.802","0.003","90","","1444.55","0.15","99.99","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N9 O3 -","- C32 H33 N9 O3 -","- C64 H66 N18 O6 -","2","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0508","0.0434","","","0.1097","0.115","","","","","","1.054","","","","has coordinates","271221","2021-12-07","03:53:28",""
"7158404","17.58","0.02","16.258","0.019","10.196","0.011","90","","101.78","0.02","90","","2853","6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 N7 -","- C29 H43 N7 -","- C116 H172 N28 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","x-ray","1.54178","CuKα","K-L~3~","0.1583","0.0904","","","0.2534","0.3128","","","","","","1.036","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158405","4.8236","0.0002","23.2321","0.0013","25.2997","0.0015","90","","90.64","0.004","90","","2835","0.3","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N9 O3 -","- C30 H28 N9 O3 -","- C120 H112 N36 O12 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0907","0.0762","","","0.2103","0.222","","","","","","1.107","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158406","13.1846","0.001","7.7958","0.0007","15.6184","0.0012","90","","113.389","0.009","90","","1473.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C72 H60 Cl4 N8 -","4","1","","Zhang, Xiaoxiang; Zhang, Yingying; Gu, Xiaoting; Zhang, Zhuan; Wei, Wanxing; Liang, Taoyuan","Synthesis of 3-halogenated 2,3'-biindoles by a copper-mediated 2,3-difunctionalization of indoles.","Organic & biomolecular chemistry","2021","19","47","10403","10407","10.1039/d1ob02024b","","","0.71073","MoKα","","0.0887","0.0608","","","0.1305","0.1473","","","","","","1.07","","","","has coordinates","271872","2022-01-06","21:57:50",""
"7158407","18.604","0.0008","12.3733","0.0004","20.0612","0.0008","90","","97.643","0.001","90","","4576.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","19AU04","","- C26 H21 Br2 Cl O -","- C26 H21 Br2 Cl O -","- C208 H168 Br16 Cl8 O8 -","8","2","","Kuan, Tzu-Hsuan; Kotipalli, Trimurtulu; Chen, Cheng-Chun; Hou, Duen-Ren","Addition of benzyl ethers to alkynes: a metal-free synthesis of 1<i>H</i>-isochromenes.","Organic & biomolecular chemistry","2021","19","47","10390","10402","10.1039/d1ob01941d","","","0.71073","MoKα","","0.1548","0.0827","","","0.2047","0.2544","","","","","","1.021","","","","has coordinates","271868","2022-01-06","21:57:21",""
"7158408","7.085","0.003","10.81","0.005","19.32","0.007","79.174","0.015","85.596","0.011","82.452","0.014","1438.7","1","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","2","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0839","","","","0.2127","","","","","","1.035","","","","has coordinates","271867","2022-01-06","21:57:14",""
"7158409","8.985","0.004","14.486","0.009","10.592","0.005","90","","98.454","0.017","90","","1363.6","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0402","","","","0.1071","","","","","","1.079","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158410","11.525","0.004","9.518","0.004","14.178","0.006","90","","98.81","0.015","90","","1536.9","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0522","","","","0.1193","","","","","","1.044","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158411","5.686","0.003","26.359","0.013","10.269","0.005","90","","93.343","0.017","90","","1536.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0903","","","","0.1694","","","","","","1.082","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158412","8.183","0.004","9.828","0.003","16.544","0.005","90","","90","","90","","1330.5","0.9","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0457","0.037","","","0.0721","0.0758","","","","","","1.033","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158413","9.336","0.002","12.665","0.004","12.308","0.004","90","","104.355","0.014","90","","1409.9","0.7","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O2 -","- C15 H23 Cl O2 -","- C60 H92 Cl4 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0466","0.0387","","","0.0904","0.0945","","","","","","1.046","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158414","5.702","0.004","17.711","0.008","14.235","0.006","90","","94.834","0.019","90","","1432.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0408","","","","0.1136","","","","","","1.14","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158421","9.4275","0.0008","10.8201","0.0008","27.124","0.002","92.649","0.003","93.232","0.003","92.618","0.003","2756.2","0.4","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C20 H27 N2 O6 P -","- C20 H27 N2 O6 P -","- C100 H135 N10 O30 P5 -","5","5","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","1.34139","GaKα","","0.054","0.0462","","","0.1172","0.1243","","","","","","1.04","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158422","8.9945","0.0002","8.987","0.0002","14.4355","0.0003","90","","94.766","0.001","90","","1162.84","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N2 O6 P -","- C21 H29 N2 O6 P -","- C42 H58 N4 O12 P2 -","2","1","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","0.71073","MoKα","","0.0359","0.032","","","0.0848","0.0888","","","","","","1.054","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158423","17.1924","0.0002","17.1924","0.0002","8.8177","0.0002","90","","90","","90","","2606.32","0.07","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C15 H12 Se2 -","- C15 H12 Se2 -","- C120 H96 Se16 -","8","1","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0147","0.0146","","","0.0368","0.0369","","","","","","1.065","","","","has coordinates","271875","2022-01-06","21:58:10",""
"7158424","9.1936","0.0002","12.7735","0.0003","17.6722","0.0004","73.363","0.002","79.2638","0.0018","71.888","0.002","1879.11","0.08","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H24 Se2 -","- C21 H24 Se2 -","- C84 H96 Se8 -","4","4","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0314","0.0292","","","0.0724","0.0748","","","","","","1.044","","","","has coordinates,has disorder","271875","2022-01-06","21:58:10",""
"7158431","21.4559","0.0018","8.8913","0.0008","17.8312","0.0016","90","","102.21","0.009","90","","3324.7","0.5","292.99","0.1","292.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N3 O3 -","- C17 H14 Br N3 O3 -","- C136 H112 Br8 N24 O24 -","8","2","","Li, Yi-Na; Li, Xue-Lin; Wu, Jin-Bo; Jiang, Hong; Liu, Yunmei; Guo, Yu; Zeng, Yao-Fu; Wang, Zhen","Metal-free regioselective nitration of quinoxalin-2(1<i>H</i>)-ones with <i>tert</i>-butyl nitrite.","Organic & biomolecular chemistry","2021","19","48","10554","10559","10.1039/d1ob02015c","","x-ray","0.71073","MoKα","","0.1298","0.0554","","","0.0981","0.1249","","","","","","1.018","","","","has coordinates","271874","2022-01-06","21:58:03",""
"7158432","11.7039","0.0006","17.6409","0.0008","15.4808","0.0007","90","","100.776","0.0011","90","","3139.9","0.3","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C172 H128 N8 O8 -","4","1","","Zhang, Wande; Nawaz, Shah; Huang, Yue; Gong, Wenjing; Wei, Xingfu; Qu, Jingping; Wang, Baomin","C-4 benzofuranylation of pyrazolones by a metal-free catalyzed indirect heteroarylation strategy.","Organic & biomolecular chemistry","2021","19","46","10215","10222","10.1039/d1ob01920a","","","0.71073","MoKα","","0.0674","0.0425","","","0.0961","0.1041","","","","","","1","","","","has coordinates","271120","2021-12-06","06:50:29",""
"7158433","13.277","0.0009","10.5088","0.0007","27.5974","0.0019","90","","90","","90","","3850.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N O3 -","- C23 H18 Cl N O3 -","- C184 H144 Cl8 N8 O24 -","8","2","","Lu, Wen-Xiu; Xing, Jian; Sun, Yijia; Huang, Qinge; Deng, Zhenwei; Mao, Jian-Gang","Palladium-catalyzed and alcohol-enabled transformation to synthesize benzocyclic ketones.","Organic & biomolecular chemistry","2021","19","46","10210","10214","10.1039/d1ob01996a","","","0.71073","MoKα","","0.0713","0.0566","","","0.1493","0.1688","","","","","","1.106","","","","has coordinates","271121","2021-12-06","06:51:17",""
"7200192","12.839","0.003","13.863","0.003","16.379","0.003","81.66","0.03","73.32","0.03","89.26","0.03","2761.8","1.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H42 Cl2 Eu N5 O10 -","- C58 H38 Eu N5 O10 -","- C116 H76 Eu2 N10 O20 -","2","1","","Biju, Silvanose; Ambili Raj, D. B.; Reddy, M. L. P.; Jayasankar, C. K.; Cowley, Alan H.; Findlater, Michael","Dual emission from stoichiometrically mixed lanthanide complexes of 3-phenyl-4-benzoyl-5-isoxazolonate and 2,2′-bipyridine","Journal of Materials Chemistry","2009","19","10","1425","","10.1039/b809563a","","","0.71073","MoKα","","0.1052","0.071","","","0.1703","0.184","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200268","33.15","0.003","13.5383","0.0012","11.0627","0.001","90","","109.036","0.001","90","","4693.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Br2 F9 -","- C23 H17 Br2 F9 -","- C184 H136 Br16 F72 -","8","1","","Zhang, Xiaojie; Bu, Laju; Qu, Yao; Wang, Lixiang; Geng, Yanhou; Wang, Fosong","Novel spiro-fluorenes from tandem radical addition for liquid crystalline monodisperse conjugated oligomers","Journal of Materials Chemistry","2009","19","3","399","","10.1039/b811830b","","","0.71073","MoKα","","0.0774","0.0457","","","0.1141","0.1303","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:06:26",""
"7200272","8.4966","0.001","16.6904","0.0019","21.628","0.003","90.657","0.002","91.134","0.002","90.768","0.002","3066","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H92 Ag3 N3 P6 S3 Se3 -","- C43 H92 Ag3 N3 P6 S3 Se3 -","- C86 H184 Ag6 N6 P12 S6 Se6 -","2","1","","Panneerselvam, Arunkumar; Nguyen, Chinh Q.; Malik, Mohammad A.; O'Brien, Paul; Raftery, James","The CVD of silver selenide films from dichalcogenophosphinato and imidodichalcogenodiphosphinatosilver(I) single-source precursors","Journal of Materials Chemistry","2009","19","3","419","","10.1039/b812074a","","","0.71073","MoKα","","0.0961","0.0685","","","0.1319","0.1454","","","","","","1.129","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200273","11.1586","0.001","16.4882","0.0015","23.028","0.002","90","","101.646","0.002","90","","4149.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Ag4 P4 S4 Se4 -","- C24 H56 Ag4 P4 S4 Se4 -","- C96 H224 Ag16 P16 S16 Se16 -","4","1","","Panneerselvam, Arunkumar; Nguyen, Chinh Q.; Malik, Mohammad A.; O'Brien, Paul; Raftery, James","The CVD of silver selenide films from dichalcogenophosphinato and imidodichalcogenodiphosphinatosilver(I) single-source precursors","Journal of Materials Chemistry","2009","19","3","419","","10.1039/b812074a","","","0.71073","MoKα","","0.069","0.0453","","","0.0871","0.0944","","","","","","1.032","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200323","3.828325","0.000023","17.00643","0.00011","2.981444","0.00002","90","","90","","90","","194.11","0.002","","","","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Cs0.16 Mg0.09 O Ti0.41 -","- Cs0.1603 Mg0.0875 O Ti0.4125 -","- Cs1.2824 Mg0.7 O8 Ti3.3 -","8","0.5","","Gao, Tao; Fjellvåg, Helmer; Norby, Poul","Protonic titanate derived from CsxTi2−x/2Mgx/2O4 (x = 0.7) with lepidocrocite-type layered structure","Journal of Materials Chemistry","2009","19","6","787","794","10.1039/b813147c","powder diffraction","x-ray","0.520193","","","","","","","","","0.05844","","1.87","","","","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200376","10.8702","0.0005","12.6588","0.0006","14.6884","0.001","109.028","0.003","99.41","0.003","111.268","0.002","1687.08","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H38 F6 S2 -","- C35 H38 F6 S2 -","- C70 H76 F12 S4 -","2","1","","Jeong, Yong-Chul; Park, Dae Gyu; Lee, In Su; Yang, Sung Ik; Ahn, Kwang-Hyun","Highly fluorescent photochromic diarylethene with an excellent fatigue property","Journal of Materials Chemistry","2009","19","1","97","","10.1039/b814040e","","","0.71073","MoKα","","0.1476","0.0876","","","0.2817","0.3405","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:06:26",""
"7200377","10.7844","0.0002","12.9936","0.0002","14.1194","0.0002","112.573","0.001","97.254","0.001","98.273","0.001","1771.92","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 F6 O4 S2 -","- C35 H38 F6 O4 S2 -","- C70 H76 F12 O8 S4 -","2","1","","Jeong, Yong-Chul; Park, Dae Gyu; Lee, In Su; Yang, Sung Ik; Ahn, Kwang-Hyun","Highly fluorescent photochromic diarylethene with an excellent fatigue property","Journal of Materials Chemistry","2009","19","1","97","","10.1039/b814040e","","","0.71073","MoKα","","0.1","0.078","","","0.2366","0.2601","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:06:26",""
"7200397","24.1106","0.0015","13.6691","0.0009","13.1241","0.0008","90","","90.278","0.001","90","","4325.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 Cl3 N2 O2 Pt -","- C40 H37 Cl3 N2 O2 Pt -","- C160 H148 Cl12 N8 O8 Pt4 -","4","1","","Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang","A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core","Journal of Materials Chemistry","2009","19","13","1872","","10.1039/b814507e","","","0.71073","MoKα","","0.0648","0.0422","","","0.1168","0.1322","","","","","","1.07","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200398","9.7385","0.0005","11.2842","0.0005","31.6544","0.0015","90","","94.941","0.001","90","","3465.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N2 O2 Pt -","- C41 H40 N2 O2 Pt -","- C164 H160 N8 O8 Pt4 -","4","1","","Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang","A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core","Journal of Materials Chemistry","2009","19","13","1872","","10.1039/b814507e","","","0.71073","MoKα","","0.0394","0.0307","","","0.071","0.0742","","","","","","1.082","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200399","8.1679","0.0005","26.7111","0.0015","10.9458","0.0006","90","","107.251","0.001","90","","2280.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O2 Pt -","- C27 H27 N O2 Pt -","- C108 H108 N4 O8 Pt4 -","4","1","","Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang","A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core","Journal of Materials Chemistry","2009","19","13","1872","","10.1039/b814507e","","","0.71073","MoKα","","0.0309","0.0272","","","0.0616","0.0628","","","","","","1.176","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200400","9.6884","0.0007","7.8986","0.0006","23.7456","0.0018","90","","95.083","0.001","90","","1810","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O3 Pt -","- C23 H17 N O3 Pt -","- C92 H68 N4 O12 Pt4 -","4","1","","Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang","A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core","Journal of Materials Chemistry","2009","19","13","1872","","10.1039/b814507e","","","0.71073","MoKα","","0.0304","0.0275","","","0.0681","0.0694","","","","","","1.082","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200401","12.2247","0.0018","13.728","0.002","13.838","0.002","63.248","0.002","74.128","0.002","74.473","0.003","1966.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31 Cl4 Ir N2 O4 -","- C43 H31 Cl4 Ir N2 O4 -","- C86 H62 Cl8 Ir2 N4 O8 -","2","1","","Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang","A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core","Journal of Materials Chemistry","2009","19","13","1872","","10.1039/b814507e","","","0.71073","MoKα","","0.0498","0.043","","","0.1124","0.1176","","","","","","1.024","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200403","21.49","0.02","21.49","0.02","7.472","0.01","90","","90","","90","","3451","6","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Fe2 N16 P -","- C88 H52 Cl4 Fe2 N16 P -","- C176 H104 Cl8 Fe4 N32 P2 -","2","0.25","","Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu","Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)","Journal of Materials Chemistry","2009","19","6","718","","10.1039/b814609h","","","0.71075","MoKα","","","0.047","","","","0.1288","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200404","21.41","0.002","21.41","0.002","7.5777","0.0007","90","","90","","90","","3473.5","0.6","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Fe2 N16 P -","- C88 H52 Br4 Fe2 N16 P -","- C176 H104 Br8 Fe4 N32 P2 -","2","0.25","","Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu","Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)","Journal of Materials Chemistry","2009","19","6","718","","10.1039/b814609h","","","0.71075","MoKα","","","0.0378","","","","0.1091","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200405","10.501","0.006","12.232","0.006","12.938","0.006","85.71","0.03","68.16","0.04","66.19","0.04","1405.7","1.4","273.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H46 Cl2 Fe N10 P -","- C68 H46 Cl2 Fe N9 P2 -","- C68 H46 Cl2 Fe N9 P2 -","1","0.5","","Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu","Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)","Journal of Materials Chemistry","2009","19","6","718","","10.1039/b814609h","","","0.71075","MoKα","","","0.0639","","","","0.138","","","","","","0.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200480","8.6874","0.0002","13.4536","0.0004","16.6938","0.0005","86.465","0.002","82.785","0.001","81.25","0.002","1911.34","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H34 N4 -","- C54 H34 N4 -","- C108 H68 N8 -","2","1","","Kuo, Chun-Jung; Li, Ting-Yu; Lien, Chia-Chun; Liu, Charng-Hsing; Wu, Fang-Iy; Huang, Min-Jie","Bis(phenanthroimidazolyl)biphenyl derivatives as saturated blue emitters for electroluminescent devices","Journal of Materials Chemistry","2009","19","13","1865","","10.1039/b816327h","","","0.71073","MoKα","","0.1347","0.0673","","","0.137","0.19","","","","","","0.864","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200488","32.633","0.007","4.9552","0.001","11.018","0.002","90","","104.7","0.03","90","","1723.3","0.6","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Meng, Qing; Gao, Jianhua; Li, Rongjin; Jiang, Lang; Wang, Chengliang; Zhao, Huaping; Liu, Caiming; Li, Hongxiang; Hu, Wenping","New type of organic semiconductors for field-effect transistors with carbon-carbon triple bonds","Journal of Materials Chemistry","2009","19","10","1477","","10.1039/b816590d","","","0.71073","MoKα","","0.0894","0.0821","","","0.1675","0.1716","","","","","","1.119","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200499","8.9462","0.0006","5.2818","0.0004","10.1259","0.0007","90","","93.297","0.002","90","","477.68","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Co3 O10 S2 -","- C2 H8 Co3 O10 S2 -","- C4 H16 Co6 O20 S4 -","2","0.5","","Feller, Russell K.; Melot, Brent C.; Forster, Paul M.; Cheetham, Anthony K.","A hybrid cobalt disulfonate with a novel inorganic layer architecture exhibiting a field-induced magnetic transition","Journal of Materials Chemistry","2009","19","17","2604","","10.1039/b816815f","","","0.71073","MoKα","","0.0288","0.0268","","","0.0683","0.0697","","","","","","1.107","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200513","11.602","0.004","12.373","0.004","15.379","0.006","72.451","0.007","89.477","0.006","65.076","0.005","1891.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","kugpd30","","","- C37 H31 Cl5 O4 P2 Pd S2 -","- C37 H31 Cl5 O4 P2 Pd S2 -","- C74 H62 Cl10 O8 P4 Pd2 S4 -","2","1","","Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R. M. Gamini; Bacsa, John; van Zalinge, Harm; Nichols, Richard J.; Haiss, Wolfgang","Synthesis and characterization of monomeric and polymeric Pd(II) and Pt(II) complexes of 3,4-ethylenedioxythiophene-functionalized phosphine ligands","Journal of Materials Chemistry","2009","19","13","1850","","10.1039/b817210b","","","0.71073","MoKα","","0.1292","0.1087","","","0.2043","0.2138","","","","","","1.28","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200514","11.379","0.002","12.109","0.002","15.524","0.003","72.37","0.004","89.055","0.005","66.038","0.005","1848.9","0.6","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Cl2 O5 P2 Pt S2 -","- C36 H30 Cl2 O4 P2 Pt S2 -","- C72 H60 Cl4 O8 P4 Pt2 S4 -","2","1","","Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R. M. Gamini; Bacsa, John; van Zalinge, Harm; Nichols, Richard J.; Haiss, Wolfgang","Synthesis and characterization of monomeric and polymeric Pd(II) and Pt(II) complexes of 3,4-ethylenedioxythiophene-functionalized phosphine ligands","Journal of Materials Chemistry","2009","19","13","1850","","10.1039/b817210b","","","0.71073","MoKα","","0.0623","0.0403","","","0.0901","0.0955","","","","","","0.916","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200515","9.244","0.005","10.182","0.005","10.679","0.006","107.001","0.008","96.758","0.009","106.538","0.008","899","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 O4 P2 Pd S2 -","- C38 H34 Cl2 O4 P2 Pd S2 -","- C38 H34 Cl2 O4 P2 Pd S2 -","1","0.5","","Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R. M. Gamini; Bacsa, John; van Zalinge, Harm; Nichols, Richard J.; Haiss, Wolfgang","Synthesis and characterization of monomeric and polymeric Pd(II) and Pt(II) complexes of 3,4-ethylenedioxythiophene-functionalized phosphine ligands","Journal of Materials Chemistry","2009","19","13","1850","","10.1039/b817210b","","","0.71073","MoKα","","0.0537","0.0417","","","0.1035","0.108","","","","","","0.984","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200517","9.751","0.0008","10.1889","0.0008","20.6391","0.0008","90","","90","","90","","2050.5","0.2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Y -","- C4 H8 N O9 P2 Y -","- C32 H64 N8 O72 P16 Y8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.2249","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200518","9.8645","0.0016","10.3423","0.0016","20.454","0.003","90","","90","","90","","2086.8","0.6","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 La N O9 P2 -","- C4 H8 La N O9 P2 -","- C32 H64 La8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.1349","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200519","9.9654","0.0008","10.4467","0.0009","20.708","0.002","90","","90","","90","","2155.8","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 La N O9 P2 -","- C4 H8 La N O9 P2 -","- C32 H64 La8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","","","0.71013","Synchrotron","","0.2022","0.1909","","","0.447","0.4537","","","","","","1.157","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200520","9.7951","0.0009","10.2777","0.0009","20.4047","0.0018","90","","90","","90","","2054.2","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Pr -","- C4 H8 N O9 P2 Pr -","- C32 H64 N8 O72 P16 Pr8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","8.8946","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200521","9.7736","0.0014","10.2529","0.0015","20.4","0.003","90","","90","","90","","2044.2","0.5","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N Nd O9 P2 -","- C4 H8 N Nd O9 P2 -","- C32 H64 N8 Nd8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.8831","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200522","9.8402","0.0007","10.3073","0.0008","20.6805","0.0013","90","","90","","90","","2097.5","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Sm -","- C4 H8 N O9 P2 Sm -","- C32 H64 N8 O72 P16 Sm8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","8.9106","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200523","9.8328","0.001","10.2989","0.0011","20.6667","0.0012","90","","90","","90","","2092.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Eu N O9 P2 -","- C4 H8 Eu N O9 P2 -","- C32 H64 Eu8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.1133","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200524","9.8093","0.0007","10.2734","0.0008","20.6812","0.0011","90","","90","","90","","2084.1","0.2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Gd N O9 P2 -","- C4 H8 Gd N O9 P2 -","- C32 H64 Gd8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.9385","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200525","9.6686","0.0017","10.1018","0.0018","20.359","0.004","90","","90","","90","","1988.5","0.6","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Tb -","- C4 H8 N O8.88 P2 Tb -","- C32 H64 N8 O71.04 P16 Tb8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","11.017","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200526","9.7725","0.001","10.2143","0.0011","20.66","0.0018","90","","90","","90","","2062.3","0.4","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Dy N O9 P2 -","- C4 H8 Dy N O9 P2 -","- C32 H64 Dy8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","10.1911","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200527","9.7409","0.0006","10.1812","0.0006","20.6262","0.0013","90","","90","","90","","2045.6","0.2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Ho N O9 P2 -","- C4 H8 Ho N O9 P2 -","- C32 H64 Ho8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","11.9288","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200528","9.6224","0.0014","10.0504","0.0015","20.334","0.003","90","","90","","90","","1966.5","0.5","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Er N O9 P2 -","- C4 H8 Er N O9 P2 -","- C32 H64 Er8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","10.352","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200585","16.8241","0.0006","17.0411","0.0009","16.1283","0.0007","90","","90","","90","","4624","0.4","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C55 H64 N Si2 -","- C57 H62 N Si2 -","- C228 H248 N4 Si8 -","4","0.5","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","1.54178","CuKα","","0.1779","0.1142","","","0.2931","0.3801","","","","","","1.012","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200586","16.559","0.0001","17.614","0.0001","16.578","0.0002","90","0.0004","90","0.0003","90","0.0004","4835.31","0.07","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","?","- C432 N16 Si8 -","- C432 N16 Si8 -","","","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","","","","","","","","","","","","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200587","16.6409","0.0006","17.5827","0.0007","18.8903","0.0008","90","","90","","90","","5527.1","0.4","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C64 H74 N2 Si2 -","- C64 H74 N2 Si2 -","- C256 H296 N8 Si8 -","4","0.5","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","0.71073","MoKα","","0.1571","0.0891","","","0.1833","0.2075","","","","","","1.095","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200588","15.445","0.001","8.7029","0.0006","34.257","0.002","90","","97.428","0.003","90","","4566.1","0.5","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 N2 Si2 -","- C52 H62 N2 Si2 -","- C208 H248 N8 Si8 -","4","1","","Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.","Soluble n-type pentacene derivatives as novel acceptors for organic solar cells","Journal of Materials Chemistry","2009","19","19","3049","","10.1039/b818693f","","","1.54178","CuKα","","0.1842","0.1793","","","0.3862","0.3887","","","","","","1.175","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200607","8.963","0.001","27.576","0.001","9.207","0.001","90","","105.04","0.003","90","","2197.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","hexasilver diauranyl diarsenato tetraarsenate","","- Ag6 As6 O24 U2 -","- Ag6 As6 O24 U2 -","- Ag24 As24 O96 U8 -","4","1","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Novel layered uranyl arsenates, Ag6[(UO2)2(As2O7)(As4O13)] and AI6[(UO2)2(AsO4)2(As2O7)] (AI–Ag and Na): first observation of a linear As4O136− anion and structure type evolution","Journal of Materials Chemistry","2009","19","17","2583","","10.1039/b818757f","","","0.71073","MoKα","","0.0492","0.044","","","0.1153","0.1203","","","","","","1.128","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200608","11.218","0.003","11.729","0.003","14.146","0.004","108.69","0.08","91.94","0.07","97.63","0.06","1741.7","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","hexasilver diauranyl diortoarsenato diarsenate","","- Ag6 As4 O19 U2 -","- Ag6 As4 O19 U2 -","- Ag24 As16 O76 U8 -","4","2","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Novel layered uranyl arsenates, Ag6[(UO2)2(As2O7)(As4O13)] and AI6[(UO2)2(AsO4)2(As2O7)] (AI–Ag and Na): first observation of a linear As4O136− anion and structure type evolution","Journal of Materials Chemistry","2009","19","17","2583","","10.1039/b818757f","","","0.71073","MoKα","","0.21","0.0669","","","0.1039","0.1365","","","","","","0.905","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200609","10.996","0.003","11.633","0.003","14.057","0.004","108.63","0.03","91.27","0.02","97.4","0.02","1685.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","hexsodium diauranyl diortoarsenato diarsenate","","- As4 Na6 O19 U2 -","- As4 Na6 O19 U2 -","- As16 Na24 O76 U8 -","4","2","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Novel layered uranyl arsenates, Ag6[(UO2)2(As2O7)(As4O13)] and AI6[(UO2)2(AsO4)2(As2O7)] (AI–Ag and Na): first observation of a linear As4O136− anion and structure type evolution","Journal of Materials Chemistry","2009","19","17","2583","","10.1039/b818757f","","","0.71073","MoKα","","0.1327","0.0475","","","0.0755","0.0918","","","","","","0.926","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200616","5.4521","0.0003","6.147","0.0003","17.4832","0.0009","90","","90","","90","","585.93","0.05","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N6 O2 -","- C3 H2 N6 O2 -","- C12 H8 N24 O8 -","4","1","","Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias","Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials","Journal of Materials Chemistry","2009","19","15","2240","","10.1039/b818925k","","x-ray","0.71073","MoKα","","0.0344","0.0255","","","0.0563","0.0622","","","","","","1.06","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200617","6.3238","0.0005","4.9208","0.0004","13.0318","0.0012","90","","101.132","0.009","90","","397.9","0.06","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C6 H10 N18 O6 -","2","1","","Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias","Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials","Journal of Materials Chemistry","2009","19","15","2240","","10.1039/b818925k","","x-ray","0.71073","MoKα","","0.0611","0.0343","","","0.0503","0.0589","","","","","","1.015","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200618","5.027","0.005","30.882","0.004","14.223","0.006","90","","92.413","0.005","90","","2206","2","100","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N13 O2 -","- C4 H9 N13 O2 -","- C32 H72 N104 O16 -","8","2","","Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias","Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials","Journal of Materials Chemistry","2009","19","15","2240","","10.1039/b818925k","","x-ray","0.71073","MoKα","","0.1266","0.0423","","","0.0676","0.0984","","","","","","1.058","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200619","7.471","0.0004","7.8386","0.0005","18.0365","0.0011","84.318","0.005","78.597","0.005","69.203","0.006","967.47","0.11","100","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N10 O3 -","- C3 H8 N10 O3 -","- C12 H32 N40 O12 -","4","2","","Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias","Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials","Journal of Materials Chemistry","2009","19","15","2240","","10.1039/b818925k","","x-ray","0.71073","MoKα","","0.0572","0.0315","","","0.0719","0.0797","","","","","","0.945","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200642","32.458","0.004","7.1893","0.0009","11.7654","0.0017","90","","90","","90","","2745.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","(TAMS)Bi2Cl8","(TAMS)Bi2Cl8","","- C17 H22 Bi2 Cl8 N2 -","- C17 H22 Bi2 Cl8 N2 -","- C68 H88 Bi8 Cl32 N8 -","4","1","","Xu, Gang; Li, Yan; Zhou, Wei-Wei; Wang, Guo-Jian; Long, Xi-Fa; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun; Bator, Grazyna; Jakubas, Ryszard","A ferroelectric inorganic‒organic hybrid based on NLO-phore stilbazolium","Journal of Materials Chemistry","2009","19","15","2179","","10.1039/b819473d","","","0.71073","MoKα","","0.0674","0.0591","","","0.1487","0.1552","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200643","7.9516","","6.5588","","27.0024","","90","","90","","90","","1408.26","","","","","","","","","","","","","5","P 1","P 1","1","","","","?","- C20 H20 Cl16 N20 Ti16 -","- C20 H20 Cl16 N20 Ti16 -","","","","Yamanaka, Shoji; Yasunaga, Toshihiro; Yamaguchi, Kosuke; Tagawa, Masahiro","Structure and superconductivity of the intercalation compounds of TiNCl with pyridine and alkali metals as intercalants","Journal of Materials Chemistry","2009","19","17","2573","","10.1039/b819541b","","","","","","","","","","","","","","","","","","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200684","8.9568","0.0003","9.8717","0.0003","17.9905","0.0005","102.51","0.002","92.343","0.002","100.403","0.002","1522.1","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H27.5 B4 Fe2 N4.5 O30 P7 -","- C6 H20 B4 Fe2 N4.5 O30 P7 -","- C12 H40 B8 Fe4 N9 O60 P14 -","2","1","","Yang, Weiting; Li, Jiyang; Pan, Qinhe; Xing, Hongzhu; Chen, Yan; Yu, Jihong; Xu, Ruren","Synthesis, structure and magnetic property of a new organo-templated mixed-valent iron(ii, iii) borophosphate","Journal of Materials Chemistry","2009","19","26","4523","","10.1039/b820130g","","","0.71073","MoKα","","0.06","0.0434","","","0.1152","0.1224","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200685","5.94547","0.00008","3.59174","0.00005","6.79969","0.00011","90","","90","","90","","145.205","0.004","298","","298","","","","","","","","","2","P n m a","-P 2ac 2n","62","Calcium deuteride","","","- Ca D2 -","- Ca D1.913 -","- Ca4 D7.652 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7725","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200686","4.81072","0.00013","4.81072","0.00013","4.81072","0.00013","90","","90","","90","","111.335","0.005","298","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Calcium oxide","","","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.9871","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200687","5.94558","0.0001","3.59194","0.00006","6.79917","0.00013","90","","90","","90","","145.204","0.004","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca0.999 D1.82 Na0.001 -","- Ca D1.816 Na0.001 -","- Ca4 D7.264 Na0.004 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.7414","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200688","6.3673","0.0001","3.86291","0.00006","7.30892","0.00012","90","","90","","90","","179.772","0.005","298","","298","","","","","","","","","2","P n m a","-P 2ac 2n","62","Strontium deuteride","","","- D2 Sr -","- D1.902 Sr -","- D7.608 Sr4 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.5559","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200689","5.16132","0.00013","5.16132","0.00013","5.16132","0.00013","90","","90","","90","","137.494","0.006","298","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Strontium oxide","","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.0397","","","","","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200690","6.36729","0.00009","3.86346","0.00006","7.30807","0.00011","90","","90","","90","","179.777","0.005","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.87 Na0.001 Sr0.999 -","- D1.868 Na0.001 Sr -","- D7.472 Na0.004 Sr4 -","4","0.5","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.","Structural and electrical properties of calcium and strontium hydrides","Journal of Materials Chemistry","2009","19","18","2766","","10.1039/b820173k","powder diffraction","neutron","1.90946","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4178","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200695","14.389","0.006","18.111","0.008","15.87","0.007","90","","94.301","0.005","90","","4124","3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N5 O -","- C20 H23 N5 O -","- C160 H184 N40 O8 -","8","1","","Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier","Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study","Journal of Materials Chemistry","2009","19","18","2747","","10.1039/b820294j","","","0.71073","MoKα","","0.1528","0.0792","","","0.2006","0.2581","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200696","8.4082","0.0006","15.0816","0.0011","16.0829","0.0012","100.491","0.001","100.368","0.001","106.073","0.001","1868.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","2","","Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier","Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study","Journal of Materials Chemistry","2009","19","18","2747","","10.1039/b820294j","","","0.71073","MoKα","","0.0635","0.0401","","","0.1047","0.1198","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200697","5.9733","0.0007","30.794","0.004","10.4696","0.0012","90","","96.178","0.002","90","","1914.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H20 Cl N5.5 -","- C20 Cl N5.5 -","- C80 Cl4 N22 -","4","1","","Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier","Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study","Journal of Materials Chemistry","2009","19","18","2747","","10.1039/b820294j","","","0.71073","MoKα","","0.0998","0.0808","","","0.2254","0.2403","","","","","","1.1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200752","12.3962","0.0019","14.12","0.002","13.92","0.002","90","","114.759","0.004","90","","2212.5","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl2 N O6 -","- C21 H21 Cl2 N O6 -","- C84 H84 Cl8 N4 O24 -","4","1","","Hwu, Jih Ru; Hsu, Yung Chang; Josephrajan, Thainashmuthu; Tsay, Shwu-Chen","Fine tuning of blue photoluminescence from indoles for device fabrication","Journal of Materials Chemistry","2009","19","19","3084","","10.1039/b821246e","","","0.71073","MoKα","","0.0991","0.0704","","","0.2158","0.2365","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200761","13.30701","","23.74339","","7.91702","","90","","90.0001","","89.9999","","2501.41","","","","","","","","","","","","","2","P 1","P 1","1","","","","?","- C96 N128 -","- C96 N128 -","","","","Gracia, J.; Kroll, P.","Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of C3N4 ground state","Journal of Materials Chemistry","2009","19","19","3013","","10.1039/b821568e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200798","7.6113","","15.303268","","50","","90","","90","","90.2618","","5823.83","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- H44 Na4 O88 Si32 -","- H44 Na4 O88 Si32 -","","","","Iozzi, Maria Francesca; Bisio, Chiara; Regi-Macedo, Thais; Airoldi, Claudio; Cossi, Maurizio; Marchese, Leonardo","Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study","Journal of Materials Chemistry","2009","19","17","2610","","10.1039/b822013c","","","","","","","","","","","","","","","","","","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200799","7.62564","","15.381577","","50","","90","","90","","90.1302","","5864.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- H28 Na4 O80 Si32 -","- H28 Na4 O80 Si32 -","","","","Iozzi, Maria Francesca; Bisio, Chiara; Regi-Macedo, Thais; Airoldi, Claudio; Cossi, Maurizio; Marchese, Leonardo","Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study","Journal of Materials Chemistry","2009","19","17","2610","","10.1039/b822013c","","","","","","","","","","","","","","","","","","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200829","7.7818","0.0004","4.9567","0.0003","34.4265","0.0016","90","","91.993","0.003","90","","1327.1","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H47 N O3 -","- C28 H47 N O3 -","- C56 H94 N2 O6 -","2","1","","Bastiat, Guillaume; Leroux, Jean-Christophe","Pharmaceutical organogels prepared from aromatic amino acid derivatives","Journal of Materials Chemistry","2009","19","23","3867","","10.1039/b822657a","","","1.54178","CuKα","","0.0832","0.0502","","","0.1126","0.1216","","","","","","1.173","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200830","7.7987","0.0003","4.9374","0.0002","34.757","0.0014","90","","93.642","0.002","90","","1335.63","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H47 N O4 -","- C28 H47 N O4 -","- C56 H94 N2 O8 -","2","1","","Bastiat, Guillaume; Leroux, Jean-Christophe","Pharmaceutical organogels prepared from aromatic amino acid derivatives","Journal of Materials Chemistry","2009","19","23","3867","","10.1039/b822657a","","","1.54178","CuKα","","0.0395","0.0369","","","0.0999","0.1016","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200847","11.8333","0.0009","5.1318","0.0003","40.565","0.004","90","","93.54","0.01","90","","2458.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","EDT-TTF-CONH-Bypiridine-NH2","","","- C20 H16 Cl2 N4 O S6 -","- C20 H16 Cl2 N4 O S6 -","- C80 H64 Cl8 N16 O4 S24 -","4","1","","Danila, Ion; Riobé, François; Puigmartí-Luis, Josep; Pérez del Pino, Ángel; Wallis, John D.; Amabilino, David B.; Avarvari, Narcis","Supramolecular electroactive organogel and conducting nanofibers with C3-symmetrical architectures","Journal of Materials Chemistry","2009","19","26","4495","","10.1039/b822884a","","","0.71073","MoKα","","0.081","0.0652","","","0.1889","0.1992","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200859","8.7321","0.0003","14.2816","0.0004","16.6582","0.0005","90","","90","","90","","2077.42","0.11","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Br2 O2 S -","- C8 H8 Br2 O2 S -","- C64 H64 Br16 O16 S8 -","8","1","","Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Towards crystal engineering of solid-state polymerization in dibromothiophenes","Journal of Materials Chemistry","2009","19","29","5167","","10.1039/b822997j","","","1.54178","CuKα","","0.0234","0.0226","","","0.0628","0.0638","","","","","","1.186","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200860","7.3511","0.0002","12.1366","0.0004","21.9075","0.0007","90","","90","","90","","1954.53","0.1","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br2 O3 S -","- C8 H6 Br2 O3 S -","- C64 H48 Br16 O24 S8 -","8","1","","Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Towards crystal engineering of solid-state polymerization in dibromothiophenes","Journal of Materials Chemistry","2009","19","29","5167","","10.1039/b822997j","","","1.54178","CuKα","","0.0485","0.0471","","","0.163","0.1644","","","","","","1.182","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200861","9.3142","0.0003","11.3466","0.0004","19.4858","0.0007","90","","90","","90","","2059.35","0.12","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br2 O2 S2 -","- C8 H6 Br2 O2 S2 -","- C64 H48 Br16 O16 S16 -","8","1","","Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Towards crystal engineering of solid-state polymerization in dibromothiophenes","Journal of Materials Chemistry","2009","19","29","5167","","10.1039/b822997j","","","1.54178","CuKα","","0.0505","0.0492","","","0.1409","0.1418","","","","","","1.229","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200874","11.0626","0.0002","12.0807","0.0003","16.4661","0.0004","90","","90","","90","","2200.59","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cu N2 O4 -","- C23 H36 Cu N2 O4 -","- C92 H144 Cu4 N8 O16 -","4","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0625","0.0377","","","0.0684","0.0747","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200875","9.5553","0.0002","9.6147","0.0002","11.1816","0.0003","104.235","0.001","107.076","0.001","96.8","0.001","931.47","0.04","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H48 Cu2 N4 O8 -","- C36 H48 Cu2 N4 O8 -","- C36 H48 Cu2 N4 O8 -","1","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0521","0.0361","","","0.0688","0.0747","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200876","8.617","0.0002","12.0528","0.0003","13.793","0.0003","90","","90.446","0.001","90","","1432.48","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H40 N2 O4 Zn -","- C33 H40 N2 O4 Zn -","- C66 H80 N4 O8 Zn2 -","2","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0334","0.0297","","","0.0646","0.0663","","","","","","1.044","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7200877","18.5904","0.0006","8.5393","0.0003","22.3795","0.0006","90","","106.848","0.002","90","","3400.23","0.19","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H24 N2 O5 Zn -","- C13 H24 N2 O5 Zn -","- C104 H192 N16 O40 Zn8 -","8","2","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0794","0.0493","","","0.0876","0.1008","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7200878","14.1674","0.0002","11.491","0.0002","14.8774","0.0003","90","","113.205","0.001","90","","2226.07","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H36 N2 O4 Zn -","- C23 H36 N2 O4 Zn -","- C92 H144 N8 O16 Zn4 -","4","2","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0693","0.0475","","","0.0951","0.1044","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200879","7.7634","0.0006","10.9958","0.0009","24.578","0.002","90","","90","","90","","2098.1","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O4 Zn -","- C21 H32 N2 O4 Zn -","- C84 H128 N8 O16 Zn4 -","4","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0675","0.0428","","","0.0748","0.0831","","","","","","1.085","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200911","7.5213","0.0004","9.2047","0.0005","17.545","0.0008","100.384","0.0014","95.2384","0.0012","108.584","0.0016","1117.96","0.1","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cl4 Fe O2 S7 -","- C14 H10 Cl4 Fe O2 S7 -","- C28 H20 Cl8 Fe2 O4 S14 -","2","1","","Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari","Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt","Journal of Materials Chemistry","2009","19","22","3688","","10.1039/b900644c","","","0.71075","MoKα","","","0.0329","","","","0.0381","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200912","7.614","0.0015","9.4388","0.0018","17.891","0.004","101.101","0.004","95.706","0.004","107.744","0.004","1184.4","0.4","298.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Br4 Fe O2 S7 -","- C14 H10 Br4 Fe O2 S7 -","- C28 H20 Br8 Fe2 O4 S14 -","2","1","","Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari","Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt","Journal of Materials Chemistry","2009","19","22","3688","","10.1039/b900644c","","","0.71075","MoKα","","","0.0561","","","","0.0676","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200913","7.8147","0.0009","8.7364","0.0008","19.3695","0.0015","97.651","0.002","99.32","0.003","111.723","0.003","1185.1","0.2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl4 Fe S9 -","- C14 H10 Cl4 Fe S9 -","- C28 H20 Cl8 Fe2 S18 -","2","1","","Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari","Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt","Journal of Materials Chemistry","2009","19","22","3688","","10.1039/b900644c","","","0.71075","MoKα","","","0.046","","","","0.0524","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200914","7.8986","0.0006","8.9341","0.0007","19.626","0.0014","97.549","0.002","99.3134","0.0018","111.839","0.002","1240.55","0.16","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br4 Fe S9 -","- C14 H10 Br4 Fe S9 -","- C28 H20 Br8 Fe2 S18 -","2","1","","Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari","Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt","Journal of Materials Chemistry","2009","19","22","3688","","10.1039/b900644c","","","0.71075","MoKα","","","0.0631","","","","0.0758","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200916","12.7209","0.0017","14.6283","0.0019","16.413","0.002","90.34","0.002","90.874","0.003","100.198","0.002","3005.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68.9 Cl O20.45 Ru2 -","- C52 H68 Cl O20.45 Ru2 -","- C104 H136 Cl2 O40.9 Ru4 -","2","1","","Chaia, Zulema D.; Rusjan, Marcia C.; Castro, Maria Ana; Donnio, Bertrand; Heinrich, Benoit; Guillon, Daniel; Baggio, Ricardo F.; Cukiernik, Fabio D.","Supramolecular architecture elucidation of the room temperature columnar mesophases exhibited by mixed-valent diruthenium alkoxybenzoates","Journal of Materials Chemistry","2009","19","28","4981","","10.1039/b900779b","","","0.71073","MoKα","","0.0907","0.0647","","","0.1398","0.1524","","","","","","1.041","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200919","10.137","0.005","10.228","0.005","12.747","0.007","74.562","0.008","83.796","0.009","60.952","0.007","1113.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F8 N18 O14 Zn5 -","- C28 H16 F8 N18 O14 Zn5 -","- C28 H16 F8 N18 O14 Zn5 -","1","0.5","","Hulvey, Zeric; Falcao, Eduardo H. L.; Eckert, Juergen; Cheetham, Anthony K.","Enhanced H2 adsorption enthalpy in the low-surface area, partially fluorinated coordination polymer Zn5(triazole)6(tetrafluoroterephthalate)2(H2O)2·4H2O","Journal of Materials Chemistry","2009","19","25","4307","","10.1039/b900879a","","","0.71073","MoKα","","0.1102","0.0634","","","0.1515","0.1822","","","","","","1.025","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200922","12.318","0.003","3.8374","0.0009","16.385","0.004","90","","104.675","0.002","90","","749.2","0.3","293.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F2 N2 O4 -","- C18 H10 F2 N2 O4 -","- C36 H20 F4 N4 O8 -","2","0.5","","Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori","Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine","Journal of Materials Chemistry","2009","19","25","4421","","10.1039/b900987f","","","0.7107","MoKα","","","0.0388","","","","0.0525","","","","","","0.976","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200923","4.0812","0.0019","8.938","0.004","11.581","0.004","73.07","0.03","78.91","0.03","79.57","0.03","393.1","0.3","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F2 N2 O4 -","- C18 H10 F2 N2 O4 -","- C18 H10 F2 N2 O4 -","1","0.5","","Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori","Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine","Journal of Materials Chemistry","2009","19","25","4421","","10.1039/b900987f","","","0.7107","MoKα","","","0.0456","","","","0.073","","","","","","0.96","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200924","12.299","0.002","4.8114","0.0008","15.153","0.003","90","","107.604","0.0017","90","","854.7","0.3","293.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori","Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine","Journal of Materials Chemistry","2009","19","25","4421","","10.1039/b900987f","","","0.7107","MoKα","","","0.0445","","","","0.0499","","","","","","1","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200925","12.3","0.004","4.9829","0.0013","15.271","0.005","90","","106.939","0.006","90","","895.3","0.5","293.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 I2 N2 O4 -","- C18 H10 I2 N2 O4 -","- C36 H20 I4 N4 O8 -","2","0.5","","Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori","Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine","Journal of Materials Chemistry","2009","19","25","4421","","10.1039/b900987f","","","0.7107","MoKα","","","0.0324","","","","0.0203","","","","","","1.815","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200963","20.9958","0.0009","7.682","0.0003","22.6056","0.001","90","","113.585","0.001","90","","3341.5","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 Cl2 N3 O2 -","- C42 H33 Cl2 N3 O2 -","- C168 H132 Cl8 N12 O8 -","4","1","","Lin, Zhenghuan; Wen, Yuh-Sheng; Chow, Tahsin J.","White light-emitting devices with a single emitting layer based on bisindolylmaleimide fluorophores","Journal of Materials Chemistry","2009","19","29","5141","","10.1039/b901627a","","","0.71073","MoKα","","0.1066","0.0516","","","0.0944","0.1153","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200964","20.2844","0.0014","8.0018","0.0006","22.3701","0.0015","90","","100.289","0.003","90","","3572.5","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cl2 F5 N3 O2 -","- C42 H28 Cl2 F5 N3 O2 -","- C168 H112 Cl8 F20 N12 O8 -","4","1","","Lin, Zhenghuan; Wen, Yuh-Sheng; Chow, Tahsin J.","White light-emitting devices with a single emitting layer based on bisindolylmaleimide fluorophores","Journal of Materials Chemistry","2009","19","29","5141","","10.1039/b901627a","","","0.71073","MoKα","","0.1707","0.0659","","","0.1421","0.1841","","","","","","0.988","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200968","7.307","0.002","7.976","0.002","11.348","0.002","73.87","0.003","77.321","0.004","64.943","0.003","571.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H6 Br2 O2 -","- C14 H6 Br2 O2 -","- C28 H12 Br4 O4 -","2","1","","Gautrot, Julien E.; Hodge, Philip; Helliwell, Madeleine; Raftery, James; Cupertino, Domenico","Synthesis of electron-accepting polymers containing phenanthra-9,10-quinone units","Journal of Materials Chemistry","2009","19","24","4148","","10.1039/b901853k","","","0.71073","MoKα","","0.1561","0.0844","","","0.16","0.1846","","","","","","0.809","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200969","11.683","0.006","7.257","0.004","14.885","0.008","90","","109.542","0.008","90","","1189.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 O2 -","- C14 H6 Br2 O2 -","- C56 H24 Br8 O8 -","4","1","","Gautrot, Julien E.; Hodge, Philip; Helliwell, Madeleine; Raftery, James; Cupertino, Domenico","Synthesis of electron-accepting polymers containing phenanthra-9,10-quinone units","Journal of Materials Chemistry","2009","19","24","4148","","10.1039/b901853k","","","0.71073","MoKα","","0.0894","0.0532","","","0.0939","0.1042","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200981","4.8023","0.0002","9.3324","0.0003","12.6403","0.0004","70.868","0.002","80.91","0.002","77.056","0.002","519.41","0.03","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","1","1","","Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian","Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture","Journal of Materials Chemistry","2009","19","26","4587","","10.1039/b902064k","","","0.71073","MoKα","","0.0526","0.043","","","0.116","0.1319","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200982","4.9409","0.0007","33.746","0.005","5.7154","0.0009","90","","101.967","0.009","90","","932.3","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C40 H52 O14 -","2","1","","Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian","Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture","Journal of Materials Chemistry","2009","19","26","4587","","10.1039/b902064k","","","0.71073","MoKα","","0.0437","0.0376","","","0.0962","0.0997","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201000","12.5133","0.0003","34.5307","0.0008","8.9169","0.0002","90","","100.493","0.002","90","","3788.5","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 Cl2 N3 -","- C50 H35 Cl2 N3 -","- C200 H140 Cl8 N12 -","4","1","","Chi, Chih-Chin; Chiang, Chih-Long; Liu, Shun-Wei; Yueh, Han; Chen, Chin-Ti; Chen, Chao-Tsen","Achieving high-efficiency non-doped blue organic light-emitting diodes: charge-balance control of bipolar blue fluorescent materials with reduced hole-mobility","Journal of Materials Chemistry","2009","19","31","5561","","10.1039/b902910a","","","0.71073","MoKα","","0.0782","0.0392","","","0.0801","0.0851","","","","","","0.776","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201001","13.1622","0.0006","25.6042","0.0011","10.9596","0.0005","90","","107.046","0.002","90","","3531.2","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 N3 -","- C49 H35 N3 -","- C196 H140 N12 -","4","1","","Chi, Chih-Chin; Chiang, Chih-Long; Liu, Shun-Wei; Yueh, Han; Chen, Chin-Ti; Chen, Chao-Tsen","Achieving high-efficiency non-doped blue organic light-emitting diodes: charge-balance control of bipolar blue fluorescent materials with reduced hole-mobility","Journal of Materials Chemistry","2009","19","31","5561","","10.1039/b902910a","","","0.71073","MoKα","","0.1094","0.0395","","","0.0735","0.0797","","","","","","0.685","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201004","15.495","0.0005","11.0758","0.0004","10.6108","0.0003","90","","102.392","0.001","90","","1778.59","0.1","298","2","571","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","0.5","","Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.","The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes","Journal of Materials Chemistry","2009","19","25","4401","","10.1039/b902937k","","","0.71073","MoKα","","0.0395","0.0364","","","0.0914","0.094","","","","","","1.103","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201005","13.0543","0.0005","11.0691","0.0004","15.2735","0.0005","90","","109.434","0.002","90","","2081.27","0.13","571","2","571","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O2 -","- C26 H22 O2 -","- C104 H88 O8 -","4","0.5","","Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.","The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes","Journal of Materials Chemistry","2009","19","25","4401","","10.1039/b902937k","","","0.71073","MoKα","","0.0787","0.0432","","","0.1097","0.1283","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201006","5.7856","0.0001","14.9764","0.0004","13.3619","0.0003","90","","90.112","0.001","90","","1157.77","0.05","571","2","571","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C56 H52 O4 -","2","0.5","","Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.","The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes","Journal of Materials Chemistry","2009","19","25","4401","","10.1039/b902937k","","","0.71073","MoKα","","0.0684","0.0424","","","0.112","0.1317","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201007","6.2637","0.0002","21.4804","0.0006","9.259","0.0002","90","","93.187","0.001","90","","1243.84","0.06","571","2","571","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O2 -","- C30 H30 O2 -","- C60 H60 O4 -","2","0.5","","Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.","The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes","Journal of Materials Chemistry","2009","19","25","4401","","10.1039/b902937k","","","0.71073","MoKα","","0.0563","0.0387","","","0.0985","0.1094","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201008","6.2298","0.0002","22.1029","0.0006","10.0247","0.0003","90","","99.168","0.002","90","","1362.73","0.07","298","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 O2 -","- C32 H34 O2 -","- C64 H68 O4 -","2","0.5","","Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.","The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes","Journal of Materials Chemistry","2009","19","25","4401","","10.1039/b902937k","","","0.71073","MoKα","","0.0814","0.0515","","","0.1532","0.1878","","","","","","1.113","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201009","6.297","0.0002","22.7824","0.0008","10.6411","0.0002","90","","105.493","0.001","90","","1471.11","0.08","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O2 -","- C34 H38 O2 -","- C68 H76 O4 -","2","0.5","","Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.","The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes","Journal of Materials Chemistry","2009","19","25","4401","","10.1039/b902937k","","","0.71073","MoKα","","0.0608","0.0448","","","0.1151","0.1237","","","","","","0.952","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201010","5.8209","0.0004","10.0529","0.0008","24.9876","0.0019","90","","90","","90","","1462.2","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O10 S2 Sc2 -","- C10 H10 O10 S2 Sc2 -","- C40 H40 O40 S8 Sc8 -","4","0.5","","Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles","3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts","Journal of Materials Chemistry","2009","19","36","6504","","10.1039/b902954k","","","0.71073","MoKα","","0.1051","0.0571","","","0.093","0.1035","","","","","","1.145","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201011","5.2459","0.0007","10.8963","0.0014","13.2466","0.0017","86.026","0.002","81.604","0.002","85.685","0.002","745.64","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 O10 S2 Sc2 -","- C10 H10 O10 S2 Sc2 -","- C20 H20 O20 S4 Sc4 -","2","1","","Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles","3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts","Journal of Materials Chemistry","2009","19","36","6504","","10.1039/b902954k","","","0.71073","MoKα","","0.1368","0.0995","","","0.2494","0.2926","","","","","","0.972","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201012","7.6693","0.0005","7.8627","0.0005","21.0191","0.0013","90","","91.607","0.001","90","","1266.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 O8 S2 Y -","- C10 H9 O8 S2 Y -","- C40 H36 O32 S8 Y4 -","4","1","","Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles","3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts","Journal of Materials Chemistry","2009","19","36","6504","","10.1039/b902954k","","","0.71073","MoKα","","0.0581","0.0341","","","0.0677","0.0717","","","","","","0.97","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201023","19.292","0.008","7.694","0.003","19.957","0.008","90","","117.454","0.007","90","","2628.7","1.8","291","2","291","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","(6-ammoniohexyl)ammonium bislithocholate","","- C54 H96 N2 O6 -","- C54 H96 N2 O6 -","- C108 H192 N4 O12 -","2","1","","Pal, Asish; Basit, Hajra; Sen, Saikat; Aswal, Vinod K.; Bhattacharya, Santanu","Structure and properties of two component hydrogels comprising lithocholic acid and organic amines","Journal of Materials Chemistry","2009","19","25","4325","","10.1039/b903407b","","","0.71073","MoKa","","0.1654","0.0666","","","0.1028","0.1325","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201049","15.993","0.002","14.382","0.002","20.73","0.003","90","","114.568","0.004","90","","4336.5","1","298","1","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C104 H64 Cl16 Fe4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0445","","","","0.0546","","","","","","1.078","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201050","15.961","0.0006","14.0875","0.0006","20.2992","0.0007","90","","113.437","0.001","90","","4187.7","0.3","150.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C26 H16 Cl4 Fe O4 S14 Se4 -","- C104 H64 Cl16 Fe4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0379","","","","0.0452","","","","","","1.062","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201051","16.0581","0.0012","14.4343","0.0011","20.866","0.0017","90","","114.688","0.0017","90","","4394.4","0.6","298.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C104 H64 Cl16 Ga4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0724","","","","0.1036","","","","","","1.143","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201052","15.9774","0.001","14.1318","0.0009","20.3734","0.0012","90","","113.461","0.0014","90","","4219.8","0.5","150.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C26 H16 Cl4 Ga O4 S14 Se4 -","- C104 H64 Cl16 Ga4 O16 S56 Se16 -","4","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0416","","","","0.05","","","","","","1.076","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201053","33.833","0.005","6.7777","0.001","41.27","0.007","90","","99.169","0.004","90","","9343","3","296.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cl6 Fe O6 S12 Se4 -","- C28 H20 Cl6 Fe O6 S12 Se4 -","- C224 H160 Cl48 Fe8 O48 S96 Se32 -","8","1","","Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari","Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O)","Journal of Materials Chemistry","2009","19","32","5837","","10.1039/b904061g","","","0.71075","MoKα","","","0.0966","","","","0.122","","","","","","1.062","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201060","8.9342","0.0018","8.968","0.0018","9.2495","0.0018","90","","116.74","0.03","90","","661.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 O16 P4 Pb3 -","- Cr2 O16 P4 Pb3 -","- Cr4 O32 P8 Pb6 -","2","0.5","","Mao, Shaoyu; Mao, Yanping; Batchelor, Raymond J.; Guo, Haiyan; Ye, Zuo-Guang; Xie, Zhaoxiong; Zheng, Lansun","Polymorphic structures and properties of lead chromium phosphate Pb3Cr2(PO4)4","Journal of Materials Chemistry","2009","19","33","6034","","10.1039/b904277f","","","0.71073","MoKα","","0.0679","0.0595","","","0.1713","0.1745","","","","","","1.441","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201061","8.9455","0.0013","8.9455","0.0013","16.51","0.003","90","","90","","90","","1321.2","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Cr2 O16 P4 Pb3 -","- Cr2 O16 P4 Pb3 -","- Cr8 O64 P16 Pb12 -","4","0.5","","Mao, Shaoyu; Mao, Yanping; Batchelor, Raymond J.; Guo, Haiyan; Ye, Zuo-Guang; Xie, Zhaoxiong; Zheng, Lansun","Polymorphic structures and properties of lead chromium phosphate Pb3Cr2(PO4)4","Journal of Materials Chemistry","2009","19","33","6034","","10.1039/b904277f","","","0.71073","MoKα","","0.0808","0.0713","","","0.1968","0.2021","","","","","","1.11","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201066","13.199","0.003","13.809","0.0019","20.867","0.004","93.792","0.01","99.24","0.009","103.551","0.011","3628.1","1.2","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","FeC60C6H4nBu5Cp","","- C115 H70 Fe -","- C115 H70 Fe -","- C230 H140 Fe2 -","2","1","","Niinomi, Takaaki; Matsuo, Yutaka; Hashiguchi, Masahiko; Sato, Yoshiharu; Nakamura, Eiichi","Penta(organo)[60]fullerenes as acceptors for organic photovoltaic cells","Journal of Materials Chemistry","2009","19","32","5804","","10.1039/b904485j","","x-ray","0.71073","MoKα","","0.1156","0.081","","","0.2025","0.2359","","","","","","1.024","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201122","11.2511","0.0007","12.4067","0.001","17.7933","0.0012","96.813","0.004","91.644","0.005","116.369","0.006","2200.3","0.3","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C52 H68 N4 -","- C52 H68 N4 -","- C104 H136 N8 -","2","1","","Zeitouny, Joceline; Aurisicchio, Claudia; Bonifazi, Davide; De Zorzi, Rita; Geremia, Silvano; Bonini, Massimo; Palma, Carlos-Andres; Samorì, Paolo; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola","Photoinduced structural modifications in multicomponent architectures containing azobenzene moieties as photoswitchable cores","Journal of Materials Chemistry","2009","19","27","4715","","10.1039/b905287a","","x-ray","1.5418","CuKα","","0.0668","0.0469","","","0.1045","0.1105","","","","","","0.971","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201124","22.803","0.005","5.9919","0.0012","26.097","0.005","90","","101.27","0.03","90","","3497","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N3 O11 Tb -","- C36 H30 N3 O11 Tb -","- C144 H120 N12 O44 Tb4 -","4","1","","Biju, Silvanose; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.","3-Phenyl-4-acyl-5-isoxazolonate complex of Tb3+ doped into poly-β-hydroxybutyrate matrix as a promising light-conversion molecular device","Journal of Materials Chemistry","2009","19","29","5179","","10.1039/b905304b","","","0.71073","MoKα","","0.0886","0.0466","","","0.0999","0.1282","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201125","16.244","0.005","8.813","0.005","16.888","0.005","90","","90","","90","","2417.7","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C104 H104 N8 O24 -","8","1","","Biju, Silvanose; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.","3-Phenyl-4-acyl-5-isoxazolonate complex of Tb3+ doped into poly-β-hydroxybutyrate matrix as a promising light-conversion molecular device","Journal of Materials Chemistry","2009","19","29","5179","","10.1039/b905304b","","","0.71073","MoKα","","0.0864","0.0427","","","0.1112","0.1269","","","","","","0.965","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201126","8.756","0.001","38.268","0.003","12.162","0.002","90","","96.327","0.008","90","","4050.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 N3 O11 Tb -","- C41 H44 N3 O11 Tb -","- C164 H176 N12 O44 Tb4 -","4","1","","Biju, Silvanose; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.","3-Phenyl-4-acyl-5-isoxazolonate complex of Tb3+ doped into poly-β-hydroxybutyrate matrix as a promising light-conversion molecular device","Journal of Materials Chemistry","2009","19","29","5179","","10.1039/b905304b","","","0.71073","MoKα","","0.0816","0.0512","","","0.1125","0.1271","","","","","","1.197","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201135","13.9873","0.0013","7.41528","0.00052","23.3232","0.0054","90","","90","","90","","2419.1","0.6","","","","","","","","","","","","7","P n n m","-P 2 2n","58","","","","?","- Ce8 Ch8 N2 O68 Oh8 Si36 Wo12.696 -","- Ce8 Ch8 N2 O68 Oh8 Si36 Wo12.696 -","","","","Ikeda, Takuji; Kayamori, Syunsuke; Mizukami, Fujio","Synthesis and crystal structure of layered silicate PLS-3 and PLS-4 as a topotactic zeolite precursor","Journal of Materials Chemistry","2009","19","31","5518","","10.1039/b905415d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201136","13.9766","0.0018","7.37483","0.00072","22.1964","0.0045","90","","89.804","0.016","90","","2287.9","0.6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- Ch19.512 H3.252 N3.252 O68 Oh8 Si36 -","- Ch19.512 H3.252 N3.252 O68 Oh8 Si36 -","","","","Ikeda, Takuji; Kayamori, Syunsuke; Mizukami, Fujio","Synthesis and crystal structure of layered silicate PLS-3 and PLS-4 as a topotactic zeolite precursor","Journal of Materials Chemistry","2009","19","31","5518","","10.1039/b905415d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201176","8.3031","0.0007","28.945","0.002","15.8034","0.0014","90","","92.37","0.011","90","","3794.8","0.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(E-dimesitylborylethenyl)benzene","","- C46 H52 B2 -","- C46 H52 B2 -","- C184 H208 B8 -","4","1","","Entwistle, Christopher D.; Collings, Jonathan C.; Steffen, Andreas; Pålsson, Lars-Olof; Beeby, Andrew; Albesa-Jové, David; Burke, Jacquelyn M.; Batsanov, Andrei S.; Howard, Judith A. K.; Mosely, Jackie A.; Poon, Suk-Yue; Wong, Wai-Yeung; Ibersiene, Fatima; Fathallah, Sofiane; Boucekkine, Abdou; Halet, Jean-François; Marder, Todd B.","Syntheses, structures, two-photon absorption cross-sections and computed second hyperpolarisabilities of quadrupolar A–π–A systems containing E-dimesitylborylethenyl acceptors","Journal of Materials Chemistry","2009","19","40","7532","","10.1039/b905719f","","","0.71073","MoKα","","0.083","0.0466","","","0.1239","0.1406","","","","","","1.023","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7201177","15.144","0.002","11.4882","0.0015","16.24","0.002","90","","99.46","0.02","90","","2787","0.6","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(E-dimesitylborylethenyl)benzene, toluene trisolvate","","- C67 H76 B2 -","- C67 H76 B2 -","- C134 H152 B4 -","2","0.5","","Entwistle, Christopher D.; Collings, Jonathan C.; Steffen, Andreas; Pålsson, Lars-Olof; Beeby, Andrew; Albesa-Jové, David; Burke, Jacquelyn M.; Batsanov, Andrei S.; Howard, Judith A. K.; Mosely, Jackie A.; Poon, Suk-Yue; Wong, Wai-Yeung; Ibersiene, Fatima; Fathallah, Sofiane; Boucekkine, Abdou; Halet, Jean-François; Marder, Todd B.","Syntheses, structures, two-photon absorption cross-sections and computed second hyperpolarisabilities of quadrupolar A‒π‒A systems containing E-dimesitylborylethenyl acceptors","Journal of Materials Chemistry","2009","19","40","7532","","10.1039/b905719f","","","0.71073","MoKα","","0.094","0.0518","","","0.1183","0.1418","","","","","","1.031","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201178","12.4785","0.0012","17.7688","0.0017","18.5164","0.0018","79.05","0.02","80.04","0.02","78.07","0.03","3905.4","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,5-bis(E-dimesitylborylethenyl)thiophene","","- C44.5 H51 B2 Cl S -","- C44.5 H51 B2 Cl S -","- C178 H204 B8 Cl4 S4 -","4","2","","Entwistle, Christopher D.; Collings, Jonathan C.; Steffen, Andreas; Pålsson, Lars-Olof; Beeby, Andrew; Albesa-Jové, David; Burke, Jacquelyn M.; Batsanov, Andrei S.; Howard, Judith A. K.; Mosely, Jackie A.; Poon, Suk-Yue; Wong, Wai-Yeung; Ibersiene, Fatima; Fathallah, Sofiane; Boucekkine, Abdou; Halet, Jean-François; Marder, Todd B.","Syntheses, structures, two-photon absorption cross-sections and computed second hyperpolarisabilities of quadrupolar A–π–A systems containing E-dimesitylborylethenyl acceptors","Journal of Materials Chemistry","2009","19","40","7532","","10.1039/b905719f","","","0.71073","MoKα","","0.0974","0.0604","","","0.1439","0.1684","","","","","","1.018","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7201179","15.3539","0.0012","16.3316","0.0011","21.5221","0.0016","90","","90.75","0.02","90","","5396.3","0.7","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","4,4'-bis(E-dimesitylborylethenyl)biphenyl, toluene solvate","","- C66 H72 B2 -","- C66 H72 B2 -","- C264 H288 B8 -","4","0.5","","Entwistle, Christopher D.; Collings, Jonathan C.; Steffen, Andreas; Pålsson, Lars-Olof; Beeby, Andrew; Albesa-Jové, David; Burke, Jacquelyn M.; Batsanov, Andrei S.; Howard, Judith A. K.; Mosely, Jackie A.; Poon, Suk-Yue; Wong, Wai-Yeung; Ibersiene, Fatima; Fathallah, Sofiane; Boucekkine, Abdou; Halet, Jean-François; Marder, Todd B.","Syntheses, structures, two-photon absorption cross-sections and computed second hyperpolarisabilities of quadrupolar A‒π‒A systems containing E-dimesitylborylethenyl acceptors","Journal of Materials Chemistry","2009","19","40","7532","","10.1039/b905719f","","","0.71073","MoKα","","0.1327","0.0765","","","0.1851","0.2276","","","","","","1.051","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201180","11.7193","0.0009","12.0933","0.0009","18.1746","0.0014","84.01","0.03","78.79","0.02","81.32","0.02","2490.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5,5'-bis(E-dimesitylborylethenyl)terthiophene, dichloromethane solvate","","- C53.5 H57 B2 Cl3 S3 -","- C53.5 H54 B2 Cl2.2 S3 -","- C107 H108 B4 Cl4.4 S6 -","2","1","","Entwistle, Christopher D.; Collings, Jonathan C.; Steffen, Andreas; Pålsson, Lars-Olof; Beeby, Andrew; Albesa-Jové, David; Burke, Jacquelyn M.; Batsanov, Andrei S.; Howard, Judith A. K.; Mosely, Jackie A.; Poon, Suk-Yue; Wong, Wai-Yeung; Ibersiene, Fatima; Fathallah, Sofiane; Boucekkine, Abdou; Halet, Jean-François; Marder, Todd B.","Syntheses, structures, two-photon absorption cross-sections and computed second hyperpolarisabilities of quadrupolar A‒π‒A systems containing E-dimesitylborylethenyl acceptors","Journal of Materials Chemistry","2009","19","40","7532","","10.1039/b905719f","","","0.71073","MoKα","","0.0952","0.0583","","","0.1506","0.1752","","","","","","1.024","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201183","11.6784","0.001","13.4373","0.0011","14.2959","0.0012","64.349","0.001","66.21","0.001","64.589","0.001","1760.2","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H76 N8 O4 -","- C83 H68 N8 O4 -","- C83 H68 N8 O4 -","1","0.5","","Reddy, M. Ananth; Thomas, Anup; Srinivas, Kola; Rao, V. Jayathirtha; Bhanuprakash, K.; Sridhar, B.; Kumar, Arunandan; Kamalasanan, M. N.; Srivastava, Ritu","Synthesis and characterization of 9,10-bis(2-phenyl-1,3,4-oxadiazole) derivatives of anthracene: Efficient n-type emitter for organic light-emitting diodes","Journal of Materials Chemistry","2009","19","34","6172","","10.1039/b905808g","","","0.71073","MoKα","","0.0587","0.049","","","0.1401","0.151","","","","","","1.033","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201184","13.4303","0.0007","14.1082","0.0008","14.3536","0.0008","107.583","0.001","111.517","0.001","105.634","0.001","2178.9","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H58 N4 O2 -","- C50 H58 N4 O2 -","- C100 H116 N8 O4 -","2","1","","Reddy, M. Ananth; Thomas, Anup; Srinivas, Kola; Rao, V. Jayathirtha; Bhanuprakash, K.; Sridhar, B.; Kumar, Arunandan; Kamalasanan, M. N.; Srivastava, Ritu","Synthesis and characterization of 9,10-bis(2-phenyl-1,3,4-oxadiazole) derivatives of anthracene: Efficient n-type emitter for organic light-emitting diodes","Journal of Materials Chemistry","2009","19","34","6172","","10.1039/b905808g","","","0.71073","MoKα","","0.087","0.0671","","","0.1924","0.2115","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201236","7.0157","0.0008","6.4219","0.0013","35.465","0.005","90","","90","","92.255","0.013","1596.6","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 1 21/a","-P 2ac","14","","","","- C22 H22 As F6 N2 O2 S12 -","- C22 H22 As F6 N2 O2 S12 -","- C44 H44 As2 F12 N4 O4 S24 -","2","0.5","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","","0.71073","MoKα","","0.1471","0.0784","","","0.1832","0.216","","","","","","1.012","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201237","6.9762","0.0009","6.48","0.0012","32.671","0.009","90","","90","","92.446","0.018","1475.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 1 21/a","-P 2ac","14","","","","- C22 H22 Br N2 O2 S12 -","- C22 H22 Br N2 O2 S12 -","- C44 H44 Br2 N4 O4 S24 -","2","0.5","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","","0.71073","MoKα","","0.1026","0.0571","","","0.1274","0.1421","","","","","","1.002","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201238","7.1097","0.0004","6.5049","0.0009","32.691","0.003","90","","90","","90","","1511.9","0.3","295","2","295","2","","","","","","","synthesis as described","6","P m n a","-P 2ac 2","53","","","","- C22 H22 Br N2 O2 S12 -","- C22 H22 Br N2 O2 S12 -","- C44 H44 Br2 N4 O4 S24 -","2","0.25","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","","0.71073","MoKα","","0.0767","0.0331","","","0.0599","0.0676","","","","","","1.002","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201239","7.1126","0.0005","13.025","0.0007","32.759","0.0013","90","","90","","90","","3034.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","P 2 n n","P -2n 2","34","","","","- C22 H22 Br N2 O2 S12 -","- C22 H22 Br N2 O2 S12 -","- C88 H88 Br4 N8 O8 S48 -","4","1","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","x-ray","0.92072","synchrotron","","0.0962","0.0521","","","0.1418","0.1671","","","","","","1.006","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201259","9.2735","0.0003","13.5383","0.0004","22.407","0.0007","90","","91.326","0.002","90","","2812.39","0.15","150","","150","","","","","","","","Simon Dalgleish, SD078","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 Ni S6 -","- C28 H24 N2 Ni S6 -","- C112 H96 N8 Ni4 S24 -","4","1","","Dalgleish, Simon; Morrison, Carole A.; Middlemiss, Derek S.; Mount, Andrew R.; Collins, Anna; Pilia, Luca; Serpe, Angela; Mercuri, M. Laura; Roberts-Bleming, Susan J.; Charlton, Adam; Deplano, Paola; Murphy, Patrick J.; Robertson, Neil","Synthesis, structure and spectroscopic properties of a new class of polymerisable nickel dithiolenes","Journal of Materials Chemistry","2009","19","34","6194","","10.1039/b907028a","","","0.71073","MoKα","","0.0772","0.0521","","0.1355","0.1229","0.1355","","","","","","0.9346","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201260","9.4169","0.0002","27.4559","0.0007","10.0584","0.0002","90","","114.935","0.001","90","","2358.18","0.09","150","","150","","","","","","","","Simon Dalgleish, SD068","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 Ni S6 -","- C20 H24 N2 Ni S6 -","- C80 H96 N8 Ni4 S24 -","4","1","","Dalgleish, Simon; Morrison, Carole A.; Middlemiss, Derek S.; Mount, Andrew R.; Collins, Anna; Pilia, Luca; Serpe, Angela; Mercuri, M. Laura; Roberts-Bleming, Susan J.; Charlton, Adam; Deplano, Paola; Murphy, Patrick J.; Robertson, Neil","Synthesis, structure and spectroscopic properties of a new class of polymerisable nickel dithiolenes","Journal of Materials Chemistry","2009","19","34","6194","","10.1039/b907028a","","","0.71073","MoKα","","0.0551","0.044","","0.1109","0.1037","0.1109","","","","","","1.0145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201290","6.513","0.001","13.459","0.002","6.114","0.003","95.93","0.03","106.22","0.02","85.3","0.01","511.1","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","Di(4-t-butylcyclopenteno(1,2-d)(1',2'-d)-1,4,5,8- tetrathiafulva-lene (1c)","","","- C20 H28 S4 -","- C20 H28 S4 -","- C20 H28 S4 -","1","0.5","","Kanno, Masato; Bando, Yoshimasa; Shirahata, Takashi; Inoue, Jun-ichi; Wada, Hiroshi; Mori, Takehiko","Stabilization of organic field-effect transistors in hexamethylenetetrathiafulvalene derivatives substituted by bulky alkyl groups","Journal of Materials Chemistry","2009","19","36","6548","","10.1039/b907592e","","","0.7107","MoKα","","","0.0347","","","","0.1012","","","","","","1.428","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201291","6.477","0.001","14.667","0.003","6.14","0.003","93.38","0.03","93.66","0.02","86.5","0.02","580.1","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","Di(4-n-butylcyclopenteno(1,2-d)(1',2'-d)-1,4,5,8-tetrathia- fulvalene (1d)","","","- C22 H32 S4 -","- C22 H32 S4 -","- C22 H32 S4 -","1","0.5","","Kanno, Masato; Bando, Yoshimasa; Shirahata, Takashi; Inoue, Jun-ichi; Wada, Hiroshi; Mori, Takehiko","Stabilization of organic field-effect transistors in hexamethylenetetrathiafulvalene derivatives substituted by bulky alkyl groups","Journal of Materials Chemistry","2009","19","36","6548","","10.1039/b907592e","","","0.7107","MoKα","","","0.0511","","","","0.1382","","","","","","1.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201292","6.387","0.0009","14.408","0.003","6.32","0.001","93.17","0.02","110.22","0.01","91.12","0.01","544.45","0.17","293.2","","","","","","","","","","","3","P -1","-P 1","2","Di(4-(1,1-dimethylpropyl)penteno(1,2-d)(1',2'-d)-1,4,5,8- tetrathiafulvalene","","","- C22 H32 S4 -","- C22 H32 S4 -","- C22 H32 S4 -","1","0.5","","Kanno, Masato; Bando, Yoshimasa; Shirahata, Takashi; Inoue, Jun-ichi; Wada, Hiroshi; Mori, Takehiko","Stabilization of organic field-effect transistors in hexamethylenetetrathiafulvalene derivatives substituted by bulky alkyl groups","Journal of Materials Chemistry","2009","19","36","6548","","10.1039/b907592e","","","0.7107","MoKα","","","0.0321","","","","0.086","","","","","","1.144","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201313","13.7734","0.0008","10.4858","0.0006","7.0995","0.0004","90","","102.906","0.001","90","","999.44","0.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C3 H7 N10, N O3, H2 O","","","- C3 H9 N11 O4 -","- C3 H9 N11 O4 -","- C12 H36 N44 O16 -","4","1","","Tao, Guo-Hong; Twamley, Brendan; Shreeve, Jean'ne M.","A thermally stable nitrogen-rich energetic material—3,4,5-triamino-1-tetrazolyl-1,2,4-triazole (TATT)","Journal of Materials Chemistry","2009","19","32","5850","","10.1039/b908214j","","","0.71073","MoKα","","0.0353","0.0327","","","0.0938","0.0968","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201323","18.9434","0.0015","4.6452","0.0004","25.872","0.003","90","","110.369","0.001","90","","2134.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Br N S3 -","- C9 H4 Br N S3 -","- C72 H32 Br8 N8 S24 -","8","1","","Morgan, Ian S.; D'Aleo, Danielle N.; Hudolin, Marissa L.; Chen, Aicheng; Assoud, Abdeljalil; Jenkins, Hilary A.; MacKinnon, Craig D.","Oligothiophenes substituted with the thionitrile group: synthesis, characterization, and thin-film formation on gold substrates","Journal of Materials Chemistry","2009","19","43","8162","","10.1039/b908869e","","","0.71073","MoKα","","0.0262","0.0217","","","0.0565","0.0584","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201324","3.9636","0.0012","16.715","0.005","8.572","0.003","90","","92.157","0.005","90","","567.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 N2 S4 -","- C10 H4 N2 S4 -","- C20 H8 N4 S8 -","2","0.5","","Morgan, Ian S.; D'Aleo, Danielle N.; Hudolin, Marissa L.; Chen, Aicheng; Assoud, Abdeljalil; Jenkins, Hilary A.; MacKinnon, Craig D.","Oligothiophenes substituted with the thionitrile group: synthesis, characterization, and thin-film formation on gold substrates","Journal of Materials Chemistry","2009","19","43","8162","","10.1039/b908869e","","","0.71073","MoKα","","0.0682","0.0651","","","0.1256","0.1268","","","","","","1.156","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201341","8.3567","0.0017","9.0434","0.0018","12.055","0.002","90","","90","","90","","911","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl N3 Ni O4 -","- C4 H8 Cl N3 Ni O4 -","- C16 H32 Cl4 N12 Ni4 O16 -","4","1","","Hu, Bo-Wen; Zhao, Jiong-Peng; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Interconversion of two new nickel(II) coordination polymers with different topologies: synthesis, structure and magnetic properties","Journal of Materials Chemistry","2009","19","37","6827","","10.1039/b909683c","","","0.71073","MoKα","","0.0181","0.0174","","","0.0415","0.0418","","","","","","1.137","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201342","7.6673","0.0015","12.559","0.003","7.9117","0.0016","90","","118.58","0.03","90","","669","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N6 Ni O6 -","- C8 H12 N6 Ni O6 -","- C16 H24 N12 Ni2 O12 -","2","0.5","","Hu, Bo-Wen; Zhao, Jiong-Peng; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Interconversion of two new nickel(II) coordination polymers with different topologies: synthesis, structure and magnetic properties","Journal of Materials Chemistry","2009","19","37","6827","","10.1039/b909683c","","","0.71073","MoKα","","0.0348","0.03","","","0.0739","0.076","","","","","","1.133","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201399","10.1508","0.0011","12.2571","0.0013","16.6606","0.0018","79.161","0.002","77.551","0.002","88.507","0.002","1987.8","0.4","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H80 Cl2 N4 O -","- C105 H72 Cl2 N4 O -","- C105 H72 Cl2 N4 O -","1","0.5","","Jiang, Zuoquan; Xu, Xichen; Zhang, Zhiqiang; Yang, Chuluo; Liu, Zhongyin; Tao, Youtian; Qin, Jingui; Ma, Dongge","Diarylmethylene-bridged 4,4′-(bis(9-carbazolyl))biphenyl: morphological stable host material for highly efficient electrophosphorescence","Journal of Materials Chemistry","2009","19","41","7661","","10.1039/b910247g","","","0.71073","MoKα","","0.1045","0.0868","","","0.2842","0.3095","","","","","","1.247","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201412","17.173","0.008","6.043","0.003","22.627","0.013","90","","103.433","0.018","90","","2284","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C6-H2TPz","C6-H2TPz","","- C48 H58 N8 S4 -","- C48 H58 N8 S4 -","- C96 H116 N16 S8 -","2","0.5","","Miyazaki, Eigo; Kaku, Ayaka; Mori, Hiroki; Iwatani, Masahito; Takimiya, Kazuo","5-Hexylthiophene-fused porphyrazines: new soluble phthalocyanines for solution-processed organic electronic devices","Journal of Materials Chemistry","2009","19","33","5913","","10.1039/b910824f","","","0.71069","MoKα","","0.1696","0.0912","","","0.259","0.333","","","","","","0.97","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201413","17.173","0.008","6.043","0.003","22.627","0.013","90","","103.433","0.018","90","","2284","2","100.2","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C6-CuTPz","C6-CuTPz","","- C48 H56 Cu N8 S4 -","- C48 H56 Cu N8 S4 -","- C96 H112 Cu2 N16 S8 -","2","0.5","","Miyazaki, Eigo; Kaku, Ayaka; Mori, Hiroki; Iwatani, Masahito; Takimiya, Kazuo","5-Hexylthiophene-fused porphyrazines: new soluble phthalocyanines for solution-processed organic electronic devices","Journal of Materials Chemistry","2009","19","33","5913","","10.1039/b910824f","","","0.71069","MoKα","","0.2808","0.0641","","","0.1413","0.2012","","","","","","0.658","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201438","7.4155","0.0002","11.2295","0.0003","12.0044","0.0003","73.6103","0.0011","76.796","0.0011","74.4249","0.0011","911.11","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 S2 Si2 -","- C40 H50 S2 Si2 -","- C40 H50 S2 Si2 -","1","0.5","","Anthony, John E.; Subramanian, Sankar; Parkin, Sean R.; Park, Sung Kyu; Jackson, Thomas N.","Thin-film morphology and transistor performance of alkyl-substituted triethylsilylethynyl anthradithiophenes","Journal of Materials Chemistry","2009","19","42","7984","","10.1039/b911560a","","","0.71073","MoKα","","0.072","0.0515","","","0.1227","0.13","","","","","","1.152","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7201439","7.1419","0.0017","10.321","0.003","11.24","0.003","83.808","0.019","89.24","0.03","81.277","0.014","814.2","0.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 S2 Si2 -","- C36 H42 S2 Si2 -","- C36 H42 S2 Si2 -","1","0.5","","Anthony, John E.; Subramanian, Sankar; Parkin, Sean R.; Park, Sung Kyu; Jackson, Thomas N.","Thin-film morphology and transistor performance of alkyl-substituted triethylsilylethynyl anthradithiophenes","Journal of Materials Chemistry","2009","19","42","7984","","10.1039/b911560a","","","0.71073","MoKα","","0.0955","0.0508","","","0.1238","0.1426","","","","","","1.03","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7201440","7.9028","0.0003","10.4873","0.0004","10.8412","0.0005","76.3218","0.0018","88.4391","0.0017","88.963","0.0019","872.64","0.06","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H46 S2 Si2 -","- C38 H46 S2 Si2 -","- C38 H46 S2 Si2 -","1","0.5","","Anthony, John E.; Subramanian, Sankar; Parkin, Sean R.; Park, Sung Kyu; Jackson, Thomas N.","Thin-film morphology and transistor performance of alkyl-substituted triethylsilylethynyl anthradithiophenes","Journal of Materials Chemistry","2009","19","42","7984","","10.1039/b911560a","","","0.71073","MoKα","","0.0844","0.0542","","","0.1401","0.1585","","","","","","1.043","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201447","19.6252","0.0012","4.5677","0.0003","23.5052","0.0014","90","","101.237","0.001","90","","2066.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 S2 -","- C50 H66 S2 -","- C100 H132 S4 -","2","0.5","","Luo, Jing; Qu, Hemi; Yin, Jun; Zhang, Xiaojie; Huang, Kuo-Wei; Chi, Chunyan","π-Conjugated oligothiophene–anthracene co-oligomers: synthesis, physical properties, and self-assembly","Journal of Materials Chemistry","2009","19","43","8202","","10.1039/b911911f","","","0.71073","MoKα","","0.0538","0.0505","","","0.1278","0.1305","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201448","5.5798","0.0003","7.4484","0.0004","58.222","0.003","90","","92.516","0.001","90","","2417.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 S4 -","- C58 H70 S4 -","- C116 H140 S8 -","2","0.5","","Luo, Jing; Qu, Hemi; Yin, Jun; Zhang, Xiaojie; Huang, Kuo-Wei; Chi, Chunyan","π-Conjugated oligothiophene–anthracene co-oligomers: synthesis, physical properties, and self-assembly","Journal of Materials Chemistry","2009","19","43","8202","","10.1039/b911911f","","","0.71073","MoKα","","0.066","0.0607","","","0.1359","0.1383","","","","","","1.21","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201463","6.1973","0.0012","4.7149","0.0007","27.494","0.005","90","","95.383","0.011","90","","799.8","0.2","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 S6 -","- C18 H8 S6 -","- C36 H16 S12 -","2","0.5","","Zhang, Lei; Tan, Lin; Hu, Wenping; Wang, Zhaohui","Synthesis, packing arrangement and transistor performance of dimers of dithienothiophenes","Journal of Materials Chemistry","2009","19","43","8216","","10.1039/b913340b","","","0.7107","MoKα","","0.0545","0.0419","","","0.0837","0.0898","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7201467","9.766","0.002","10.481","0.003","12.098","0.003","93.804","0.009","90.249","0.01","102.587","0.01","1205.7","0.5","95","2","95","2","","","","","","","","4","P -1","-P 1","2","cmc0545a","","","- C19 H44 B9 N -","- C19 H44 B9 N -","- C38 H88 B18 N2 -","2","1","","Ringstrand, Bryan; Kaszynski, Piotr; Januszko, Adam; Young, Victor G.","Polar derivatives of the [closo-1-CB9H10]− cluster as positive Δε additives to nematic hosts","Journal of Materials Chemistry","2009","19","48","9204","","10.1039/b913701g","","","0.49595","synchrotron","","0.0747","0.0641","","","0.1789","0.1859","","","","","","1.079","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201472","10.1336","0.0005","16.7572","0.0008","16.207","0.0008","90","","95.402","0.002","90","","2739.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Cu2 Mn2 N2 O24 P2 -","- C10 H32 Cu2 Mn2 N2 O24 P2 -","- C40 H128 Cu8 Mn8 N8 O96 P8 -","4","1","","Gu, Zhi-Guo; Sevov, Slavi C.","Syntheses, structures, and magnetic properties of heterometallic coordination polymers with carboxyphosphonate linkers","Journal of Materials Chemistry","2009","19","44","8442","","10.1039/b915459k","","","0.71073","MoKα","","0.0389","0.036","","","0.0925","0.0944","","","","","","1.035","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201473","10.0105","0.0004","16.705","0.0007","15.9762","0.0007","90","","95.628","0.002","90","","2658.75","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Co2 Cu2 N2 O24 P2 -","- C10 H32 Co2 Cu2 N2 O24 P2 -","- C40 H128 Co8 Cu8 N8 O96 P8 -","4","1","","Gu, Zhi-Guo; Sevov, Slavi C.","Syntheses, structures, and magnetic properties of heterometallic coordination polymers with carboxyphosphonate linkers","Journal of Materials Chemistry","2009","19","44","8442","","10.1039/b915459k","","","0.71073","MoKα","","0.043","0.0405","","","0.1066","0.108","","","","","","1.172","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201474","10.2176","0.0004","16.7881","0.0007","16.2442","0.0006","90","","95.647","0.002","90","","2772.91","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Cd2 Cu2 N2 O24 P2 -","- C10 H32 Cd2 Cu2 N2 O24 P2 -","- C40 H128 Cd8 Cu8 N8 O96 P8 -","4","1","","Gu, Zhi-Guo; Sevov, Slavi C.","Syntheses, structures, and magnetic properties of heterometallic coordination polymers with carboxyphosphonate linkers","Journal of Materials Chemistry","2009","19","44","8442","","10.1039/b915459k","","","0.71073","MoKα","","0.0481","0.0446","","","0.1169","0.1188","","","","","","1.165","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201475","8.3028","0.0003","20.6398","0.0008","9.463","0.0004","90","","109.867","0.002","90","","1525.14","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H62 Cu4 La4 N4 O55 P4 -","- C24 H62 Cu4 La4 N4 O55 P4 -","- C24 H62 Cu4 La4 N4 O55 P4 -","1","0.25","","Gu, Zhi-Guo; Sevov, Slavi C.","Syntheses, structures, and magnetic properties of heterometallic coordination polymers with carboxyphosphonate linkers","Journal of Materials Chemistry","2009","19","44","8442","","10.1039/b915459k","","","0.71073","MoKα","","0.0313","0.029","","","0.0656","0.0664","","","","","","1.159","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201476","8.2368","0.0002","20.366","0.0005","9.4063","0.0002","90","","110.286","0.001","90","","1480.04","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H62 Cu4 N4 Nd4 O55 P4 -","- C24 H62 Cu4 N4 Nd4 O55 P4 -","- C24 H62 Cu4 N4 Nd4 O55 P4 -","1","0.25","","Gu, Zhi-Guo; Sevov, Slavi C.","Syntheses, structures, and magnetic properties of heterometallic coordination polymers with carboxyphosphonate linkers","Journal of Materials Chemistry","2009","19","44","8442","","10.1039/b915459k","","","0.71073","MoKα","","0.0253","0.0235","","","0.0576","0.0584","","","","","","1.076","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201485","8.9808","0.0018","16.334","0.003","22.781","0.005","90","","90.39","0.03","90","","3341.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Ir N4 S2 -","- C39 H35 Ir N4 S2 -","- C156 H140 Ir4 N16 S8 -","4","1","","Peng, Tai; Bi, Hai; Liu, Yu; Fan, Yan; Gao, Hongze; Wang, Yue; Hou, Zhaomin","Very high-efficiency red-electroluminescence devices based on an amidinate-ligated phosphorescent iridium complex","Journal of Materials Chemistry","2009","19","43","8072","","10.1039/b917776k","","","0.71073","MoKα","","0.0423","0.0316","","","0.0826","0.0877","","","","","","0.952","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7215637","8.5069","0.001","9.9764","0.0014","15.946","0.002","87.271","0.009","79.544","0.009","65.359","0.01","1209.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H35 I N2 O2 -","- C22 H35 I N2 O2 -","- C44 H70 I2 N4 O4 -","2","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0636","0.0438","","","0.1118","0.1258","","","","","","0.932","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215638","15.0256","0.0012","8.8242","0.001","17.4227","0.0018","90","","115.336","0.006","90","","2087.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 I N2 O -","- C20 H29 I N2 O -","- C80 H116 I4 N8 O4 -","4","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0577","0.0345","","","0.0701","0.0784","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215639","14.3163","0.0003","10.7538","0.0003","28.2371","0.0007","90","","90","","90","","4347.23","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cd N5 S3 -","- C19 H19 Cd N5 S3 -","- C152 H152 Cd8 N40 S24 -","8","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0785","0.0466","","","0.0992","0.119","","","","","","0.937","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215640","12.906","0.002","10.8887","0.0016","19.289","0.004","90","","95.61","0.014","90","","2697.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cd N6 S3 -","- C23 H26 Cd N6 S3 -","- C92 H104 Cd4 N24 S12 -","4","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0632","0.0396","","","0.1015","0.1116","","","","","","1.034","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215641","12.7935","0.0016","10.7453","0.0015","20.771","0.003","90","","99.639","0.011","90","","2815.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cd N5 S3 -","- C25 H31 Cd N5 S3 -","- C100 H124 Cd4 N20 S12 -","4","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.073","0.0404","","","0.0841","0.0959","","","","","","1.056","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7215642","14.287","0.003","10.751","0.002","34.037","0.007","90","","90","","90","","5228.1","1.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cd N5 S3 -","- C23 H27 Cd N5 S3 -","- C184 H216 Cd8 N40 S24 -","8","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0693","0.0413","","","0.1036","0.124","","","","","","1.09","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215643","23.862","0.005","12.213","0.003","10.898","0.002","90","","96.596","0.005","90","","3154.9","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N4 Si -","- C40 H32 N4 Si -","- C160 H128 N16 Si4 -","4","0.5","","Son, Ho-Jin; Han, Won-Sik; Wee, Kyung Ryang; Lee, Su-Hyun; Hwang, Ah-Reum; Kwon, Soonnam; Cho, Dae Won; Suh, Il-Hwan; Kang, Sang Ook","Intermolecular peripheral 2,5-bipyridyl interactions by cyclization of 1,1′-silanylene unit of 2,3,4,5-aryl substituted siloles: enhanced thermal stability, high charge carrier mobility, and their application to electron transporting layers for OLEDs","Journal of Materials Chemistry","2009","19","47","8964","","10.1039/b915214h","","","0.71073","MoKα","","0.1107","0.0495","","","0.1217","0.1536","","","","","","1.003","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215644","24.1053","0.0018","12.0672","0.0009","11.233","0.0008","90","","99.075","0.001","90","","3226.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 N4 Si -","- C41 H34 N4 Si -","- C164 H136 N16 Si4 -","4","0.5","","Son, Ho-Jin; Han, Won-Sik; Wee, Kyung Ryang; Lee, Su-Hyun; Hwang, Ah-Reum; Kwon, Soonnam; Cho, Dae Won; Suh, Il-Hwan; Kang, Sang Ook","Intermolecular peripheral 2,5-bipyridyl interactions by cyclization of 1,1′-silanylene unit of 2,3,4,5-aryl substituted siloles: enhanced thermal stability, high charge carrier mobility, and their application to electron transporting layers for OLEDs","Journal of Materials Chemistry","2009","19","47","8964","","10.1039/b915214h","","","0.71073","MoKα","","0.0912","0.0594","","","0.1695","0.209","","","","","","0.968","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215645","22.863","0.004","10.3528","0.0018","26.024","0.004","90","","90.721","0.004","90","","6159.3","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 Si -","- C38 H30 N4 Si -","- C304 H240 N32 Si8 -","8","2","","Son, Ho-Jin; Han, Won-Sik; Wee, Kyung Ryang; Lee, Su-Hyun; Hwang, Ah-Reum; Kwon, Soonnam; Cho, Dae Won; Suh, Il-Hwan; Kang, Sang Ook","Intermolecular peripheral 2,5-bipyridyl interactions by cyclization of 1,1′-silanylene unit of 2,3,4,5-aryl substituted siloles: enhanced thermal stability, high charge carrier mobility, and their application to electron transporting layers for OLEDs","Journal of Materials Chemistry","2009","19","47","8964","","10.1039/b915214h","","","0.71073","MoKα","","0.1863","0.0567","","","0.1318","0.2004","","","","","","0.996","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7221377","9.599","","7.009","","12.288","","90","","90","","90","","826.729","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (Mo S4)","","- H8 Mo N2 S4 -","- H8 Mo N2 S4 -","- H32 Mo4 N8 S16 -","4","0.5","","Schaefer, H.; Schaefer, G.; Weiss, A.","Zur Kristallstruktur von Ammoniumtetrathiomolybdat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1964","19","","76","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7226764","11.7568","0.0009","15.0687","0.001","11.1422","0.0007","90","","90","","90","","1973.9","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C88 H72 Fe4 N8 O20 Zn4 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","1.54184","CuKα","","0.031","0.0277","","","0.0785","0.081","","","","","","1.061","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226765","12.016","0.002","14.441","0.002","11.1347","0.0015","90","","90","","90","","1932.1","0.5","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C88 H72 Cu4 Fe4 N8 O20 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","0.71073","MoKα","","0.0666","0.0467","","","0.1227","0.1416","","","","","","1.073","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226822","17.4184","0.0011","8.2542","0.0005","18.8202","0.0012","90","","104.911","0.007","90","","2614.8","0.3","293.23","0.1","293.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O6 S -","- C27 H26 N4 O6 S -","- C108 H104 N16 O24 S4 -","4","1","","Liu, Xihong; Yang, Dongxu; Wang, Kezhou; Zhang, Jinlong; Wang, Rui","A catalyst-free 1,3-dipolar cycloaddition of C,N-cyclic azomethine imines and 3-nitroindoles: an easy access to five-ring-fused tetrahydroisoquinolines","Green Chem.","2017","19","1","82","","10.1039/C6GC02517J","","x-ray","0.71073","MoKα","","0.0979","0.0573","","","0.1216","0.1517","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226883","16.685","0.0005","5.027","0.0002","22.863","0.0007","90","","96.02","0.002","90","","1907.07","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0421","0.0344","","","0.0843","0.091","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226884","16.4774","0.001","5.1561","0.0004","24.853","0.0016","90","","92.793","0.004","90","","2109","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C96 H96 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0782","0.0612","","","0.1761","0.1902","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226885","43.491","0.005","5.2413","0.0005","19.472","0.002","90","","104.452","0.004","90","","4298.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1059","0.0507","","","0.12","0.1484","","","","","","1.02","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226886","32.3856","0.0016","5.3119","0.0002","15.6793","0.0008","90","","110.527","0.003","90","","2526","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0952","0.0726","","","0.2056","0.236","","","","","","1.046","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226887","13.856","0.0007","20.5314","0.0011","13.6341","0.0007","90","","116.97","0.002","90","","3456.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O5 -","- C40 H40 N2 O5 -","- C160 H160 N8 O20 -","4","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1039","0.0554","","","0.1462","0.1906","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226888","4.958","0.002","21.437","0.01","12.165","0.006","90","","98.132","0.007","90","","1280","1","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C64 H44 N12 O4 -","4","2","","Xie, Yu-Yang; Wang, Ying-Chun; He, Yan; Hu, Da-Chao; Wang, Heng-Shan; Pan, Ying-Ming","Catalyst-free synthesis of fused 1,2,3-triazole and isoindoline derivatives via an intramolecular azide‒alkene cascade reaction","Green Chem.","2017","19","3","656","","10.1039/C6GC01553K","","","0.71073","MoKα","","0.0494","0.0354","","","0.1048","0.1182","","","","","","0.834","","","","has coordinates","193863","2020-10-21","18:00:00",""
"7226904","7.6148","0.0009","7.8988","0.0008","24.473","0.003","90","","90","","90","","1472","0.3","120","2","120","2","","","","","","","","4","C m c e","-C 2ac 2","64","","?DW-X-7-SEB 2-amino-5-(iodoethynyl)-pyrimidine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.1004","0.0865","","","0.1898","0.1975","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226905","4.3404","0.0007","7.7073","0.0012","8.6344","0.0015","90","","91.363","0.009","90","","288.76","0.08","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","DW-Y-2 2-amino-5-ethynylpyrimidine","","- C6 H5 N3 -","- C6 H5 N3 -","- C12 H10 N6 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0524","0.0416","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226906","5.7837","0.0005","6.113","0.0005","16.4016","0.0014","98.086","0.004","92.18","0.004","101.892","0.004","560.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DW-X-8-DOD [2-amino-5-(iodoethynyl)-pyrimidine]2, 2,3,5,6-Me4-pyrazine","","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0384","0.0319","","","0.0887","0.0919","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226907","5.7849","0.0018","6.0656","0.0018","14.756","0.005","79.742","0.008","88.831","0.008","80.342","0.007","502.3","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-8 (2-amino-5-ethynylpyrimidine)2, 2,3,5,6-Me4-pyrazine","","- C20 H22 N8 -","- C20 H22 N8 -","- C20 H22 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.067","0.0463","","","0.1222","0.1365","","","","","","1.099","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226908","19.625","0.002","7.5472","0.0007","8.2583","0.0008","90","","100.95","0.004","90","","1200.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DW-X-4 [2-amino-5-(iodoethynyl)-pyrimidine]2, 1,2-bis(4-pyridyl)ethylene","","- C24 H18 I2 N8 -","- C24 H18 I2 N8 -","- C48 H36 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0305","0.0242","","","0.0539","0.0567","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226909","5.9068","0.0006","11.5286","0.0012","15.8169","0.0016","104.471","0.004","93.042","0.005","95.934","0.004","1033.84","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-4 2-amino-5-ethynylpyrimidine, (1,2-bis(4-pyridyl)ethylene)2","","- C24 H20 N8 -","- C24 H20 N8 -","- C48 H40 N16 -","2","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0879","0.0573","","","0.1611","0.1814","","","","","","1.096","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226985","14.2032","0.0008","4.6426","0.0003","18.5046","0.001","90","","99.389","0.006","90","","1203.84","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-(3Z)-(2-oxohex-5-enylidene)-1,4-benzoxazin-2-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Petronijević, Jelena; Bugarčić, Zorica; Bogdanović, Goran A.; Stefanović, Srđan; Janković, Nenad","An enolate ion as a synthon in biocatalytic synthesis of 3,4-dihydro-2(1H)-quinoxalinones and 3,4-dihydro-1,4-benzoxazin-2-ones: lemon juice as an alternative to hazardous solvents and catalysts","Green Chem.","2017","19","3","707","","10.1039/C6GC02893D","","x-ray","0.71073","MoKα","","0.0845","0.0462","","","0.0951","0.1153","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227061","21.5317","0.0007","9.9017","0.0003","16.3749","0.0005","90","","90","","90","","3491.14","0.19","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Eu Mo N12 O7 -","- C23 H42 Eu Mo N12 O7 -","- C92 H168 Eu4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0475","0.0451","","","0.09","0.0932","","","","","","1.123","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227062","21.4968","0.0012","9.8959","0.0005","16.3664","0.0008","90","","90","","90","","3481.6","0.3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Gd Mo N12 O7 -","- C23 H42 Gd Mo N12 O7 -","- C92 H168 Gd4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0429","0.0405","","","0.0866","0.0886","","","","","","1.091","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227091","9.374","0.007","35.9","0.03","12.405","0.009","90","","93.387","0.006","90","","4167","6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-ABPX103","","- C47.5 H37.5 Cl4.5 N2 O6 -","- C47.5 H37.5 Cl4.5 N2 O6 -","- C190 H150 Cl18 N8 O24 -","4","2","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Shirasaki, Yoshinao; Ooyama, Yousuke; Ueda, Masashi; Uchiyama, Masanobu; Enomoto, Shuichi; Sawada, Daisuke","Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran.","Physical chemistry chemical physics : PCCP","2017","19","2","1209","1216","10.1039/c6cp06808a","","","0.71075","MoKα","","0.0988","0.0761","","","0.1214","0.1363","","","","","","1.09","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227120","31.654","0.002","9.7728","0.0007","37.31","0.002","90","","90","","90","","11541.8","1.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H63 N3 O14 Zn2 -","- C54.36 H53.04 N2 O12.36 Zn2 -","- C434.88 H424.32 N16 O98.88 Zn16 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2249","0.146","","","0.3889","0.4154","","","","","","1.208","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227121","32.094","0.002","9.8357","0.0007","37.7628","0.0016","90","","90","","90","","11920.5","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H72 Co2 N4 O15 -","- C55 H54 Co2 N2 O13 -","- C440 H432 Co16 N16 O104 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","","1.54184","CuKα","","0.1346","0.0836","","","0.2382","0.2812","","","","","","1.029","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227122","23.7409","0.0014","23.9301","0.0014","31.1933","0.0016","68.75","0.005","88.214","0.004","60.764","0.006","14179","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C264 H331 N21 O62 Zn6 -","- C204 H189 N6 O47 Zn6 -","- C408 H378 N12 O94 Zn12 -","2","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2211","0.1727","","","0.4367","0.4728","","","","","","1.484","","","","has coordinates","191557","2020-10-21","18:00:00",""
"7227125","12.5078","0.0009","8.3906","0.0006","11.3259","0.0009","90","","116.232","0.004","90","","1066.21","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 -","- C13 H11 F N2 -","- C52 H44 F4 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0731","0.0494","","","0.125","0.1388","","","","","","1.073","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227126","22.9004","0.0012","11.908","0.0006","8.2228","0.0005","90","","104.178","0.003","90","","2174","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.101","0.085","","","0.2131","0.2268","","","","","","1.107","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227127","9.4875","0.0003","11.5929","0.0004","10.3365","0.0003","90","","93.915","0.002","90","","1134.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0753","0.0574","","","0.1413","0.1511","","","","","","1.073","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227128","9.6935","0.0003","10.9094","0.0003","10.3672","0.0003","90","","94.576","0.002","90","","1092.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0433","0.038","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227131","10.6305","0.0008","13.32","0.001","16.2613","0.0012","90","","107.408","0.004","90","","2197.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KHC-053","","","- C20 H16 N2 O8 Zn2 -","- C20 H16 N2 O8 Zn2 -","- C80 H64 N8 O32 Zn8 -","4","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.1686","0.0739","","","0.1791","0.219","","","","","","0.985","","","","has coordinates,has disorder","191577","2020-10-21","18:00:00",""
"7227132","8.8979","0.0003","21.4587","0.0007","13.4851","0.0004","90","","96.7804","0.0016","90","","2556.8","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4.5 Zn -","- C16 H12 N2 O4.5 Zn -","- C64 H48 N8 O18 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0596","0.0494","","","0.1399","0.145","","","","","","1.106","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227133","8.1425","0.0002","9.1496","0.0002","11.5118","0.0003","97.185","0.0016","96.2776","0.0017","102.745","0.0016","821.58","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","CIH065R","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C36 H36 N4 O8 Zn2 -","2","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.0892","0.065","","","0.1444","0.159","","","","","","1.041","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227134","12.396","0.003","13.262","0.003","15.772","0.003","90","","90","","90","","2592.8","1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C72 H56 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2084","0.0753","","","0.1912","0.2263","","","","","","0.859","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227135","8.8583","0.0002","21.437","0.0005","13.5925","0.0003","90","","95.7932","0.0012","90","","2567.97","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0549","0.0412","","","0.0899","0.0934","","","","","","1.137","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227136","12.471","0.003","13.306","0.003","15.711","0.003","90","","90","","90","","2607.1","1","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H14 I0.1 N2 O4 Zn -","- C18 H14 I0.1 N2 O4 Zn -","- C72 H56 I0.4 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2318","0.0894","","","0.1491","0.2079","","","","","","1.051","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227139","12.5902","0.0005","13.8557","0.0006","7.0755","0.0003","90","","93.443","0.004","90","","1232.07","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0588","0.0411","","","0.0764","0.086","","","","","","1.06","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227140","11.4833","0.0008","12.8687","0.0006","15.1022","0.0008","90","","97.349","0.006","90","","2213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Co N3 O6 -","- C23 H19 Co N3 O6 -","- C92 H76 Co4 N12 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0752","0.0478","","","0.0865","0.1006","","","","","","1.001","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227141","10.035","0.0003","11.632","0.0003","18.666","0.0006","90","","90","","90","","2178.83","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C100 H68 Co4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0501","0.0399","","","0.0798","0.0861","","","","","","1.012","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227142","12.5528","0.0007","14.2273","0.0007","7.1047","0.0004","90","","93.315","0.005","90","","1266.72","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Ni O12 -","- C26 H24 N2 Ni O12 -","- C52 H48 N4 Ni2 O24 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0799","0.0498","","","0.0831","0.0995","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227143","12.5405","0.0004","13.8008","0.0004","7.0319","0.0003","90","","93.828","0.003","90","","1214.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0475","0.0352","","","0.0753","0.0838","","","","","","1.065","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227144","12.523","0.004","14.22","0.003","7.0884","0.0019","90","","93.4","0.04","90","","1260.1","0.6","295.69","0.16","295.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O12 Zn -","- C26 H24 N2 O12 Zn -","- C52 H48 N4 O24 Zn2 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1023","0.0561","","","0.1206","0.1319","","","","","","0.927","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227145","9.0764","0.0014","16.0794","0.0016","13.913","0.003","90","","106.7","0.02","90","","1944.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O4 Zn -","- C23 H15 N3 O4 Zn -","- C92 H60 N12 O16 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1595","0.0684","","","0.0781","0.1034","","","","","","1.003","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227146","10.0211","0.0005","11.6063","0.0008","18.7216","0.0011","90","","90","","90","","2177.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N3 O5 Zn -","- C25 H17 N3 O5 Zn -","- C100 H68 N12 O20 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0641","0.0464","","","0.0646","0.0745","","","","","","1.074","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227147","10.1184","0.0004","11.542","0.0004","18.8913","0.0009","90","","90","","90","","2206.25","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C100 H68 Mn4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0676","0.0471","","","0.0725","0.082","","","","","","1.013","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227148","10.0257","0.0003","11.6347","0.0006","18.6389","0.0005","90","","90","","90","","2174.15","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0637","0.0522","","","0.1218","0.1327","","","","","","1.137","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227149","10.9405","0.0007","21.724","0.0017","23.897","0.0011","90","","91.988","0.005","90","","5676.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Cd3 N7 O16 -","- C63 H37 Cd3 N7 O16 -","- C252 H148 Cd12 N28 O64 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1722","0.0916","","","0.2109","0.2717","","","","","","1.023","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227152","13.3655","0.0009","17.7584","0.0011","21.054","0.0014","106.656","0.001","92.95","0.001","110.785","0.001","4410","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 Cl N16 O42 V16 Zn3.5 -","- C51 H70 Cl N16 O42 V16 Zn3.5 -","- C102 H140 Cl2 N32 O84 V32 Zn7 -","2","1","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0989","0.0604","","","0.1546","0.1761","","","","","","1.051","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227153","14.989","0.002","14.989","0.002","28.467","0.006","90","","90","","120","","5538.8","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H106 Cl N36 Ni3 O53 V15 -","- C54 H72 Cl N36 Ni3 O53.0001 V15 -","- C108 H144 Cl2 N72 Ni6 O106 V30 -","2","0.166667","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0815","0.0625","","","0.1776","0.1928","","","","","","1.088","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227154","22.904","0.003","13.0032","0.0012","25.754","0.002","90","","95.05","0.002","90","","7640.4","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 N12 O34 V10 Zn2 -","- C60 H48 N12 O34 V10 Zn2 -","- C240 H192 N48 O136 V40 Zn8 -","4","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0874","0.0491","","","0.1182","0.1363","","","","","","1.044","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227155","12.18","0.0007","13.5592","0.0008","13.8287","0.0007","85.204","0.004","65.431","0.005","75.508","0.005","2010.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","1","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0649","0.0518","","","0.1557","0.1682","","","","","","1.021","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227173","11.2871","0.0003","11.6719","0.0004","25.6378","0.0006","82.855","0.002","79.874","0.002","63.094","0.003","2961.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Y Zn -","- C24 H33 N4 O12 Y Zn -","- C96 H132 N16 O48 Y4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0393","0.0341","","","0.0861","0.0905","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227174","11.3119","0.0004","11.6798","0.0006","25.6158","0.001","82.889","0.004","79.959","0.003","62.936","0.004","2963.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Dy N4 O12 Zn -","- C24 H33 Dy N4 O12 Zn -","- C96 H132 Dy4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0373","0.0338","","","0.0825","0.0851","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227175","11.278","0.0004","11.665","0.0005","25.6084","0.0008","82.789","0.003","79.834","0.003","63.148","0.004","2954.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Er N4 O12 Zn -","- C24 H33 Er N4 O12 Zn -","- C96 H132 Er4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","0.71073","MoKα","","0.0313","0.0262","","","0.0536","0.056","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227176","11.1639","0.0004","11.7254","0.0005","25.6988","0.0008","83.027","0.003","79.709","0.003","62.765","0.004","2939.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Tm Zn -","- C24 H33 N4 O12 Tm Zn -","- C96 H132 N16 O48 Tm4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.036","0.0339","","","0.085","0.0865","","","","","","1.074","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227179","18.5413","0.0003","3.77083","0.00007","18.5858","0.0003","90","","93.6727","0.0017","90","","1296.78","0.04","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0614","0.0505","","","0.1313","0.1382","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227180","7.49441","0.0001","11.0643","0.00014","13.8036","0.00015","90","","92.9142","0.0011","90","","1143.12","0.02","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0549","0.0426","","","0.12","0.1312","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227181","35.2832","0.0009","35.2832","0.0009","5.20165","0.00013","90","","90","","120","","5608","0.2","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H12.33 N2 O1.17 -","- C15 H12 N2 O1.1667 -","- C270 H216 N36 O21.0006 -","18","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","1.54184","CuKα","","0.0506","0.0474","","","0.1566","0.1608","","","","","","1.09","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227182","12.732","0.0002","14.2382","0.0002","21.2459","0.0005","81.567","0.001","73.329","0.001","80.109","0.001","3615.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H59 Cl3 Cu3 N12 O20 -","- C67 H55 Cl3 Cu3 N12 O20 -","- C134 H110 Cl6 Cu6 N24 O40 -","2","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.71073","MoKα","","0.1179","0.0626","","","0.1619","0.1934","","","","","","1.016","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227183","13.1193","0.0005","14.2591","0.0006","14.4095","0.0005","60.4","0.004","86.909","0.003","83.559","0.003","2328.99","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0498","0.0446","","","0.1203","0.1254","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227184","8.3536","0.0003","10.032","0.0004","10.2798","0.0004","87.419","0.004","86.088","0.003","78.661","0.004","842.26","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0266","0.0257","","","0.0655","0.0662","","","","","","1.044","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227185","17.3178","0.0007","19.003","0.0003","25.7513","0.001","90","","136.335","0.007","90","","5851.1","0.8","150","0.2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl2 Cu4 N8 O23 -","- C54 H52 Cl2 Cu4 N8 O23 -","- C216 H208 Cl8 Cu16 N32 O92 -","4","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0372","0.0326","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227186","22.535","0.003","22.535","0.003","29.635","0.006","90","","90","","120","","13033","4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C141 H167 Cu9 N21 O55 -","- C141 H135 Cu9 N21 O55 -","- C423 H405 Cu27 N63 O165 -","3","0.333333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.7293","","","0.0668","0.0654","","","0.1803","0.1829","","","","","","1.059","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227187","23.6201","0.0004","23.6201","0.0004","13.6105","0.0003","90","","90","","120","","6576.1","0.2","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C172 H304 Cu12 N48 O150 -","- C172 H124 Cu12 N36 O48 -","- C172 H124 Cu12 N36 O48 -","1","0.0833333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0361","0.034","","","0.0938","0.0958","","","","","","1.088","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227190","6.87","0.0018","8.309","0.002","22.23","0.006","90","","90","","90","","1269","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","phellandrene anhydride","5-methyl-8-(propan-2-yl)hexahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0568","0.0453","","","0.1109","0.1179","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227191","6.9562","0.0018","8.559","0.002","21.752","0.006","90","","90","","90","","1295.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-methyl-8-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0688","0.0496","","","0.1315","0.1413","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227192","6.53","0.0015","10.411","0.002","12.121","0.003","90","","97.062","0.004","90","","817.8","0.3","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0535","0.0466","","","0.118","0.1233","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227193","14.472","0.003","8.153","0.0017","14.494","0.003","90","","91.73","0.004","90","","1709.4","0.6","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bicyclo[2.2.2]octane-2-endo,3-endo-dicarboxylic acid anhydride","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0697","0.0506","","","0.1247","0.1359","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227194","13.453","0.003","5.8751","0.0012","17.417","0.004","90","","101.5","0.03","90","","1349","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0657","0.0569","","","0.1231","0.1279","","","","","","1.107","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227195","13.622","0.003","5.926","0.0012","17.379","0.004","90","","101","0.03","90","","1377.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0553","0.0389","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227196","13.287","0.003","5.9132","0.0012","18.536","0.004","90","","99.09","0.03","90","","1438.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0597","0.0477","","","0.1109","0.1173","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227197","13.505","0.003","5.9344","0.0012","18.587","0.004","90","","97.49","0.03","90","","1476.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0768","0.0686","","","0.154","0.163","","","","","","1.174","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227198","6.434","0.0013","13.594","0.003","18.649","0.004","72.12","0.03","84.92","0.03","84.41","0.03","1542","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0807","0.0566","","","0.1236","0.1355","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227199","6.4576","0.0013","13.713","0.003","18.624","0.004","72.03","0.03","84.97","0.03","84.93","0.03","1559.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.069","0.0452","","","0.1222","0.1357","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227200","12.8199","0.0009","12.8199","0.0009","32.617","0.004","90","","90","","90","","5360.6","0.8","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C54 H52 B2 Cu F7.97 N4 O4 -","- C54 H52 B2 Cu F7.931 N4 O4 -","- C216 H208 B8 Cu4 F31.724 N16 O16 -","4","0.25","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","x-ray","1.54184","CuKα","","0.1507","0.1033","","","0.2671","0.3199","","","","","","1.086","","","","has coordinates,has disorder","191576","2020-10-21","18:00:00",""
"7227201","11.645","0.005","11.645","0.005","52.7","0.005","90","0.005","90","0.005","90","0.005","7146","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C29 H16 F12 Mn N2 O4 -","- C29 H16 F12 Mn N2 O4 -","- C232 H128 F96 Mn8 N16 O32 -","8","","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","","0.71069","MoKα","","0.1674","0.0604","","","0.1342","0.1807","","","","","","0.885","","","","has coordinates","191576","2020-10-21","18:00:00",""
"7227202","23.729","0.003","24.75","0.003","16.918","0.002","90","","119.249","0.002","90","","8669","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Mo12 N12 O61 Sb2 -","- C30 H44 Mo12 N12 O61 Sb2 -","- C120 H176 Mo48 N48 O244 Sb8 -","4","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.042","0.0356","","","0.1018","0.1056","","","","","","1.049","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227203","11.2428","0.0007","13.9571","0.0009","19.478","0.0013","105.855","0.001","103.033","0.001","103.153","0.001","2724.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H96 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","1","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0777","0.0562","","","0.166","0.1804","","","","","","1.077","","","","has coordinates,has disorder","191548","2020-10-21","18:00:00",""
"7227204","36.2075","0.0012","36.2075","0.0012","36.2075","0.0012","90","","90","","90","","47467","3","296","2","296.15","","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C36 H124 Mo24 N24 O116 Sb4 -","- C36 H12 Mo24 O108 Sb4 -","- C288 H96 Mo192 O864 Sb32 -","8","","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0322","0.0273","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227205","10.3655","0.001","11.8975","0.0012","18.6068","0.0018","76.136","0.002","80.465","0.002","84.056","0.002","2192.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H39 Mo6 N6 O30 Sb -","- C12 H9 Mo6 N6 O34 Sb -","- C24 H18 Mo12 N12 O68 Sb2 -","2","1","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0536","0.0449","","","0.1226","0.1274","","","","","","1.045","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227206","9.3202","0.001","10.5724","0.0012","14.7777","0.0016","88.561","0.002","85.685","0.002","81.729","0.002","1436.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form II","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0865","0.0611","","","0.1497","0.1644","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227207","10.6675","0.0014","11.6121","0.0015","13.0639","0.0017","72.725","0.002","74.29","0.002","65.743","0.002","1388.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form I","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0788","0.0656","","","0.1671","0.1777","","","","","","1.112","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227208","5.1207","0.0005","9.1029","0.0008","24.816","0.002","90","","90","","90","","1156.75","0.18","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H F11 N2 -","- C10 H F11 N2 -","- C40 H4 F44 N8 -","4","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","x-ray","1.54178","CuKα","","0.0693","0.0625","","","0.1506","0.1542","","","","","","1.161","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227209","12.4065","0.0003","12.4065","0.0003","5.5725","0.0002","90","","90","","120","","742.81","0.04","110","2","110","2","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","x-ray","1.54184","CuKα","","0.0238","0.023","","","0.0593","0.0606","","","","","","1.105","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227210","12.3863","0.0007","12.3863","0.0007","5.5727","0.0003","90","","90","","120","","740.42","0.07","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","","1.5418","CuKα","","0.0278","0.0276","","0.0688","0.0686","0.0688","","","","","","0.9188","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227211","16.3324","0.001","7.7981","0.0005","15.33","0.0009","90","","101.178","0.001","90","","1915.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas","Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.","Physical chemistry chemical physics : PCCP","2017","19","2","1244","1256","10.1039/c6cp07255k","","","0.71073","MoKα","","0.0817","0.0506","","","0.1302","0.1573","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227212","12.6799","0.0007","9.0474","0.0005","18.899","0.001","90","","103.126","0.001","90","","2111.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C104 H100 N4 O16 -","4","1","","Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas","Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.","Physical chemistry chemical physics : PCCP","2017","19","2","1244","1256","10.1039/c6cp07255k","","","0.71073","MoKα","","0.0768","0.0506","","","0.1024","0.1147","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227213","7.466","0.0013","13.752","0.002","20.182","0.003","82.47","0.004","84.186","0.004","89.182","0.004","2043.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","2","","Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas","Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.","Physical chemistry chemical physics : PCCP","2017","19","2","1244","1256","10.1039/c6cp07255k","","","0.71073","MoKα","","0.0873","0.0479","","","0.1144","0.1413","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227216","4.7532","0.0001","8.1538","0.0002","10.0237","0.0002","113.997","0.001","91.275","0.001","90.003","0.001","354.801","0.014","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","1","1","","Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T.","Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene","CrystEngComm","2017","19","2","346","","10.1039/C6CE02229D","","","0.71073","MoKα","","0.0553","0.0493","","","0.1342","0.1569","","","","","","1.109","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227217","7.2247","0.0005","10.4855","0.0009","10.8336","0.0009","64.61","0.002","85.799","0.003","79.794","0.003","729.69","0.1","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0431","0.0403","","","0.1065","0.1081","","","","","","1.108","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227218","7.1809","0.0005","9.8084","0.0009","10.8511","0.0011","66.647","0.002","84.88","0.003","78.699","0.003","688.01","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0481","0.0446","","","0.1277","0.1317","","","","","","1.103","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227219","7.2808","0.0004","9.8586","0.0008","10.866","0.0008","66.382","0.002","85.05","0.003","78.872","0.003","701.14","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0487","0.0455","","","0.134","0.1375","","","","","","1.097","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227220","7.2244","0.0002","9.7489","0.0003","10.8919","0.0007","66.7372","0.001","85.5145","0.0013","79.0594","0.0012","691.94","0.05","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0429","0.0381","","","0.1082","0.1115","","","","","","1.058","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227221","7.2482","0.0002","10.268","0.0003","10.8587","0.0007","65.3729","0.001","85.6015","0.0012","79.458","0.0012","722.24","0.06","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0555","0.0546","","","0.1462","0.1478","","","","","","1.067","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227222","6.6847","0.0005","8.2593","0.0007","12.7076","0.0012","71.172","0.004","85.353","0.003","72.077","0.003","631.7","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","5-bromo-2,3-difluorophenyl 4-methoxybenzoate","","- C14 H9 Br F2 O3 -","- C14 H9 Br F2 O3 -","- C28 H18 Br2 F4 O6 -","2","1","","Gautam, Prashant; Kathe, Prasad; Bhanage, Bhalchandra M.","Pd/C catalyzed phenoxycarbonylation using N-formylsaccharin as a CO surrogate in propylene carbonate, a sustainable solvent","Green Chem.","2017","19","3","823","","10.1039/C6GC03027K","","","0.71073","MoKα","","0.0363","0.0282","","","0.0575","0.06","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227231","3.61996","0.00017","12.9546","0.0005","7.0224","0.0004","90","","94.632","0.003","90","","328.24","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C12 H16 N8 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0564","0.0505","","","0.1354","0.1434","","","","","","1.143","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227232","10.76606","0.00019","8.25767","0.00015","17.3938","0.0003","90","","90","","90","","1546.35","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C56 H96 N16 O8 -","4","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0498","0.0484","","","0.1185","0.1198","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227233","3.68405","0.00013","13.8967","0.0004","8.7734","0.0003","90","","101.475","0.002","90","","440.19","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 O4 -","- C6 H4 N6 O4 -","- C12 H8 N12 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0717","0.0658","","","0.1878","0.1943","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227234","7.5718","0.0003","8.46267","0.00018","8.7904","0.0002","102.057","0.0014","102.489","0.0018","101.212","0.0018","520.6","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","1","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0587","0.0496","","","0.1301","0.1469","","","","","","1.084","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227235","10.5475","","20.4313","","6.8444","","90","","109.458","","90","","1390.72","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N8 O8 -","- C32 H22 N8 O8 -","- C64 H44 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0669","0.0525","","","0.1322","0.1461","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227236","9.6805","0.0002","3.52584","0.00008","14.4065","0.0003","90","","106.805","0.0013","90","","470.722","0.018","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H4 N6 Na O4 -","- C6 H6 N6 Na O4 -","- C12 H12 N12 Na2 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0604","0.0577","","","0.1656","0.17","","","","","","1.085","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227237","6.46087","0.00012","5.62884","0.00012","9.37402","0.00017","90","","99.3001","0.0009","90","","336.426","0.011","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N6 O2 -","- C6 H2 N6 O2 -","- C12 H4 N12 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0457","0.0421","","","0.1079","0.1103","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227238","10.0971","","19.4344","","7.5505","","90","","90.629","","90","","1481.55","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12 N8 O8 -","- C36 H12 N8 O8 -","- C72 H24 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0566","0.0521","","","0.1557","0.1605","","","","","","1.1","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227241","23.0687","0.0014","23.0687","0.0014","20.7587","0.0017","90","","90","","120","","9567","1.1","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H15 N3 O15 Zn3 -","- C24 H15 N3 O15 Zn3 -","- C144 H90 N18 O90 Zn18 -","6","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1378","0.1126","","","0.2952","0.3127","","","","","","1.007","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227242","38.569","0.009","38.569","0.009","28.647","0.009","90","","90","","120","","36905","17","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H20 N4 O20 Zn4 -","- C32 H20 N4 O20 Zn4 -","- C576 H360 N72 O360 Zn72 -","18","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1442","0.1307","","","0.4007","0.4265","","","","","","1.053","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227243","6.7854","0.0003","8.2932","0.0003","9.432","0.0003","97.567","0.002","107.241","0.002","97.513","0.002","494.35","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","1","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","","1.54178","CuKα","","0.1374","0.1271","","","0.3802","0.3883","","","","","","1.624","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227244","8.6573","0.0011","7.1501","0.001","18.754","0.003","90","","96.93","0.009","90","","1152.4","0.3","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C60 H24 F8 N8 -","2","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","x-ray","0.71073","MoKα","","0.0987","0.0399","","","0.0387","0.0433","","","","1.9","1.9","1.45","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227245","13.1253","0.0002","7.86257","0.00013","11.71964","0.00016","90","","90","","90","","1209.45","0.03","250","0.1","250","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0446","0.0407","","","0.1101","0.1135","","","","","","1.053","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227246","7.8089","0.00018","11.6361","0.0002","12.9991","0.0003","90.0033","0.0017","89.9908","0.0018","90.0086","0.0018","1181.17","0.04","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0246","0.0235","","","0.0577","0.0584","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227247","13.3063","0.0002","8.0603","0.0001","11.7787","0.0001","90","","90","","90","","1263.3","0.03","260","0.1","260","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0265","0.0249","","","0.0658","0.0668","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227248","7.99901","0.00016","11.6844","0.0003","13.2191","0.0002","89.9922","0.0016","90.0224","0.0016","90.0075","0.0017","1235.5","0.04","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0247","0.0239","","","0.0585","0.0591","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227249","7.8457","0.0002","11.6885","0.0002","13.0792","0.0003","90.0075","0.0018","89.998","0.002","90.0165","0.0019","1199.42","0.05","220","0.1","220","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0415","0.0368","","","0.0901","0.094","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227250","8.02169","0.00015","11.7137","0.0002","13.2529","0.0002","89.9946","0.0015","90.0068","0.0015","89.9829","0.0015","1245.29","0.04","200","0.1","200","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0212","0.0205","","","0.0547","0.0552","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227251","9.324","0.002","9.324","0.002","7.1369","0.0018","90","","90","","90","","620.5","0.2","223","","223","","","","","","","","","6","I -4","I -4","82","","","","- C8 H20 B0.504 F4.992 N P0.496 -","- C8 H20 B0.504 F4.992 N P0.496 -","- C16 H40 B1.008 F9.984 N2 P0.992 -","2","0.25","","Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika","Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases.","Physical chemistry chemical physics : PCCP","2017","19","3","2053","2059","10.1039/c6cp07992j","","","0.71073","MoKα","","0.0656","0.0649","","","0.188","0.1892","","","","","","1.109","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227252","5.8457","0.0006","13.5935","0.0014","9.8497","0.0011","90","","98.476","0.009","90","","774.14","0.14","180","2","180","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C36 H36 N8 O4 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0558","0.0371","","","0.0964","0.1034","","","","","","0.962","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227253","10.2451","0.0008","11.074","0.0007","15.3632","0.0011","90","","90","","90","","1743","0.2","180","2","180","","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0683","0.0476","","","0.1214","0.1326","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227254","8.6751","0.0008","11.2503","0.001","13.3424","0.001","90","","94.681","0.007","90","","1297.84","0.19","180","2","180","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H34 N4 O4 -","- C26 H34 N4 O4 -","- C52 H68 N8 O8 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0819","0.0498","","","0.1279","0.146","","","","","","0.878","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227255","8.829","0.0011","11.313","0.0016","10.403","0.0013","90","","107.834","0.009","90","","989.1","0.2","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C44 H52 N8 O4 -","2","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0622","0.0379","","","0.0968","0.1075","","","","","","0.927","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227257","3.6632","0.0003","3.6632","0.0003","11.998","0.002","90","","90","","90","","161","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Gd O4 -","- Al Ca Gd O4 -","- Al2 Ca2 Gd2 O8 -","2","0.0625","","Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang","The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties","CrystEngComm","2017","19","3","537","","10.1039/C6CE02411D","","x-ray","0.71073","MoKα","","0.0287","0.0287","","","0.0745","0.0745","","","","1","1","1","","","","has coordinates","191561","2020-10-21","18:00:00",""
"7227258","9.307","0.0003","17.6267","0.0004","10.8072","0.0003","90","","113.592","0.004","90","","1624.75","0.09","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl4 N2 O4 Re -","- C12 H10 Cl4 N2 O4 Re -","- C48 H40 Cl16 N8 O16 Re4 -","4","0.5","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0849","0.0857","","","","","","1.032","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227259","9.8643","0.0002","9.9913","0.0002","12.1357","0.0002","93.364","0.0007","92.3297","0.0007","119.535","0.0006","1035.51","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N8 O4 Re -","- C14 H14 Cl4 N8 O4 Re -","- C28 H28 Cl8 N16 O8 Re2 -","2","1","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","","0.71073","MoKα","","0.0168","0.0167","","","0.0457","0.0458","","","","","","1.006","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227260","6.0614","0.0005","4.9572","0.0004","12.1601","0.001","90","","102.523","0.008","90","","356.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O -","- C7 H7 Br O -","- C14 H14 Br2 O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0623","0.048","","","0.1061","0.1165","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227261","6.044","0.002","4.9739","0.0012","12.231","0.005","90","","103.69","0.04","90","","357.2","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7.5 H8.5 Br0.5 O -","- C7.5 H8.5 Br0.5 O -","- C15 H17 Br O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.1333","0.0943","","","0.2196","0.2507","","","","","","1.141","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227262","5.9892","0.0006","4.9395","0.0005","12.0858","0.0012","90","","102.59","0.01","90","","348.94","0.06","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 Br0.5 Cl0.5 O -","- C7 H7 Br0.5 Cl0.5 O -","- C14 H14 Br Cl O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0698","0.0512","","","0.1062","0.1232","","","","","","1","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227263","13.7763","0.0012","16.0926","0.0012","17.8036","0.001","82.048","0.005","72.999","0.006","68.508","0.008","3509.9","0.5","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.71073","MoKα","","0.1262","0.0989","","0.1518","0.1254","0.1254","","","","","","1.1368","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227264","10.894","0.003","12.114","0.003","15.8","0.003","85.936","0.01","76.182","0.009","78.08","0.02","1980.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O30 Si8 -","- C77.4 H82.8 O29.35 Si8 -","- C77.4 H82.8 O29.35 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.8729","synchrotron","","0.0804","0.0586","","","0.1621","0.1825","","","","","","1.026","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227268","4.5613","0.0005","10.2296","0.0011","13.7303","0.0015","80.28","0.003","83.693","0.003","87.814","0.003","627.52","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0313","0.0242","","","0.0416","0.0428","","","","","","1.063","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227269","4.6564","0.0003","12.7812","0.0009","14.2764","0.0009","104.509","0.002","96.086","0.002","97.186","0.002","807.71","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.035","0.0247","","","0.0476","0.0506","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227270","4.5773","0.0003","36.882","0.003","21.7673","0.0014","90","","91.029","0.002","90","","3674.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F8 I4 N6 O3 S -","- C30 H24 F8 I4 N6 O3 S -","- C120 H96 F32 I16 N24 O12 S4 -","4","1","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0755","0.0454","","","0.0643","0.0698","","","","","","1.103","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227271","12.1733","0.0007","12.9667","0.0007","19.521","0.0011","93.601","0.002","96.085","0.002","111.847","0.002","2826.4","0.3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H44 Cl5 F6 Ir N4 O7 P2 S2 -","- C49 H44 Cl5 F6 Ir N4 O7 P2 S2 -","- C98 H88 Cl10 F12 Ir2 N8 O14 P4 S4 -","2","1","","Liu, Huan; Wang, Dong-Liang; Chen, Xia; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Efficient and recyclable Ir(i)-catalysts with the involvement of π-acceptor phosphines for N-alkylation of aryl amines with alcohols","Green Chem.","2017","19","4","1109","","10.1039/C6GC03096C","","","0.71073","MoKα","","0.0814","0.0582","","","0.1562","0.1798","","","","","","1.018","","","","has coordinates","193860","2020-10-21","18:00:00",""
"7227272","9.0997","0.0003","15.2322","0.0005","13.1977","0.0005","90","","93.109","0.001","90","","1826.62","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Cl2 Ir N4 P2 -","- C42 H34 Cl2 Ir N4 P2 -","- C84 H68 Cl4 Ir2 N8 P4 -","2","0.5","","Liu, Huan; Wang, Dong-Liang; Chen, Xia; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Efficient and recyclable Ir(i)-catalysts with the involvement of π-acceptor phosphines for N-alkylation of aryl amines with alcohols","Green Chem.","2017","19","4","1109","","10.1039/C6GC03096C","","","0.71073","MoKα","","0.0271","0.0222","","","0.0495","0.0522","","","","","","1.089","","","","has coordinates","193860","2020-10-21","18:00:00",""
"7227284","8.8117","0.0009","7.4263","0.0008","14.7072","0.0016","90","","90","","90","","962.41","0.18","213","1","213","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0846","0.0848","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227285","9.572","0.005","8.414","0.005","11.973","0.006","90","","105.341","0.008","90","","929.9","0.9","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","0.5","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0954","0.0992","","","","","","1.241","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227286","7.2216","0.0007","22.988","0.002","17.6581","0.0019","90","","101.235","0.001","90","","2875.2","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C96 H96 I24 -","12","3","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0663","0.0707","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227287","8.107","0.003","16.238","0.005","14.621","0.005","90","","93.57","0.004","90","","1921","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C64 H64 I16 -","8","2","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.031","0.0267","","","0.0687","0.071","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227288","10.3425","0.0005","13.0194","0.0007","13.2226","0.0005","90","","90","","90","","1780.46","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0405","0.0337","","","0.0841","0.0889","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227289","14.0037","0.0003","18.865","0.0004","9.2913","0.0002","90","","109.592","0.001","90","","2312.46","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","0.5","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0525","0.0411","","","0.1044","0.1176","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227290","7.66","0.0005","14.3344","0.001","21.738","0.0015","87.427","0.003","83.718","0.003","75.715","0.003","2298.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0697","0.0429","","","0.1256","0.1592","","","","","","1.099","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227291","18.1949","0.0008","10.7188","0.0003","12.2321","0.0005","90","","95.895","0.002","90","","2372.98","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 N -","- C34 H23 N -","- C136 H92 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0595","0.0392","","","0.1055","0.141","","","","","","1.121","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227292","20.863","0.003","10.6106","0.0016","11.6041","0.0013","90","","93.835","0.005","90","","2563","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 N -","- C38 H25 N -","- C152 H100 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.1754","0.0566","","","0.1198","0.1877","","","","","","0.993","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227293","15.4053","0.0003","7.6463","0.0002","17.3621","0.0004","90","","100.301","0.001","90","","2012.18","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0713","0.0472","","","0.1014","0.1266","","","","","","1.103","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227294","7.157","0.0014","12.806","0.003","7.856","0.0016","90","","90","","90","","720","0.3","153","2","153","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C6 H4 Mn N4 -","- C6 H4 Mn N4 -","- C24 H16 Mn4 N16 -","4","0.25","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0316","0.0249","","","0.0668","0.0699","","","","","","1.11","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227295","8.363","0.0017","12.827","0.003","12.987","0.003","78.01","0.03","77.5","0.03","71.85","0.03","1277.6","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.14 H20.28 Mn2 N8 O -","- C25.14 H19.85 Mn2 N8 O -","- C50.28 H39.7 Mn4 N16 O2 -","2","1","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0669","0.0536","","","0.1435","0.1549","","","","","","1.067","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227296","17.112","0.0015","16.287","0.0013","9.1823","0.0008","90","","107.089","0.009","90","","2446.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0451","0.0344","","","0.0809","0.0863","","","","","","1.028","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227297","17.1144","0.0014","16.2849","0.0012","9.1786","0.0007","90","","107.107","0.008","90","","2445","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0491","0.0369","","","0.086","0.0935","","","","","","1.019","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227298","19.1","0.007","22.96","0.008","24.338","0.009","90","","90","","90","","10673","7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Er Mn Mo9 N5 O49 -","- C12 H10 Er Mn Mo9 N5 O49 -","- C96 H80 Er8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0645","0.0395","","","0.0955","0.1032","","","","","","1.063","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227299","19.0464","0.0006","22.8077","0.0007","24.2799","0.0007","90","","90","","90","","10547.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Eu Mn Mo9 N5 O49 -","- C12 H10 Eu Mn Mo9 N5 O49 -","- C96 H80 Eu8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0464","0.0325","","","0.0863","0.0913","","","","","","1.082","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227300","10.4141","0.0004","12.6941","0.0005","19.1513","0.0009","72.893","0.001","82.037","0.001","89.305","0.001","2395.32","0.17","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0477","0.0364","","","0.0929","0.0984","","","","","","1.058","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227301","18.9813","0.0011","22.8264","0.0014","24.1927","0.0014","90","","90","","90","","10482.1","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Y -","- C12 H10 Mn Mo9 N5 O49 Y -","- C96 H80 Mn8 Mo72 N40 O392 Y8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0568","0.0364","","","0.0903","0.0964","","","","","","1.068","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227302","10.3698","0.0006","12.6471","0.0008","19.0794","0.0011","73.32","0.001","81.798","0.001","88.775","0.001","2371.9","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0643","0.0476","","","0.1254","0.134","","","","","","1.071","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227303","19.0677","0.0016","22.7335","0.0019","24.228","0.002","90","","90","","90","","10502.2","1.5","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tb -","- C12 H10 Mn Mo9 N5 O49 Tb -","- C96 H80 Mn8 Mo72 N40 O392 Tb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0303","","","0.0819","0.0863","","","","","","1.098","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227304","18.9956","0.0007","22.8143","0.0009","24.1926","0.001","90","","90","","90","","10484.4","0.7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tm -","- C12 H10 Mn Mo9 N5 O49 Tm -","- C96 H80 Mn8 Mo72 N40 O392 Tm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0312","","","0.088","0.0914","","","","","","1.057","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227305","18.9918","0.0008","22.8191","0.001","24.1887","0.0011","90","","90","","90","","10482.8","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Ho Mn Mo9 N5 O49 -","- C12 H10 Ho Mn Mo9 N5 O49 -","- C96 H80 Ho8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0681","0.0416","","","0.1069","0.1239","","","","","","1.088","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227306","10.431","0.0005","12.6785","0.0006","19.1442","0.0009","72.956","0.001","82.02","0.001","89.255","0.001","2396.1","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0422","0.0329","","","0.083","0.0871","","","","","","1.049","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227307","19.0792","0.0009","22.8325","0.001","24.331","0.0011","90","","90","","90","","10599.2","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Sm -","- C12 H10 Mn Mo9 N5 O49 Sm -","- C96 H80 Mn8 Mo72 N40 O392 Sm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0352","0.0274","","","0.0722","0.0757","","","","","","1.091","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227308","18.9941","0.0011","22.8037","0.0014","24.1386","0.0014","90","","90","","90","","10455.3","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Yb -","- C12 H10 Mn Mo9 N5 O49 Yb -","- C96 H80 Mn8 Mo72 N40 O392 Yb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0426","0.0325","","","0.0898","0.0939","","","","","","1.077","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227309","19.0411","0.0009","22.8346","0.0011","24.2724","0.0011","90","","90","","90","","10553.5","0.9","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Gd Mn Mo9 N5 O49 -","- C12 H10 Gd Mn Mo9 N5 O49 -","- C96 H80 Gd8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0554","0.0351","","","0.0819","0.0882","","","","","","1.04","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227310","19.0233","0.0006","22.7722","0.0007","24.1995","0.0007","90","","90","","90","","10483.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Dy Mn Mo9 N5 O49 -","- C12 H10 Dy Mn Mo9 N5 O49 -","- C96 H80 Dy8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0509","0.0351","","","0.1039","0.1159","","","","","","1.083","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227311","6.7549","0.0002","11.0133","0.0003","32.2549","0.0011","90","","90","","90","","2399.56","0.13","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Co N4 O2 S2 -","- C26 H18 Co N4 O2 S2 -","- C104 H72 Co4 N16 O8 S8 -","4","1","","Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.","Physical chemistry chemical physics : PCCP","2017","19","4","3232","3243","10.1039/c6cp08193b","","","0.71073","MoKα","","0.0292","0.0265","","","0.0624","0.0632","","","","","","1.055","","","","has coordinates","191761","2020-10-21","18:00:00",""
"7227312","9.105","0.0005","10.7073","0.0006","11.0049","0.0006","115.112","0.004","93.167","0.005","110.952","0.004","879.62","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Co N4 S2 -","- C16 H14 Co N4 S2 -","- C32 H28 Co2 N8 S4 -","2","1","","Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.","Physical chemistry chemical physics : PCCP","2017","19","4","3232","3243","10.1039/c6cp08193b","","","0.71073","MoKα","","0.0695","0.04","","","0.0808","0.09","","","","","","1.044","","","","has coordinates,has disorder","191761","2020-10-21","18:00:00",""
"7227313","12.3182","0.0017","22.004","0.002","13.2118","0.0017","90","","109.093","0.014","90","","3384.1","0.8","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H45 Cr N16 O8 Ru2 S -","- C54 H45 Cr N16 O8 Ru2 S -","- C108 H90 Cr2 N32 O16 Ru4 S2 -","2","1","","Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.","Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.","Physical chemistry chemical physics : PCCP","2017","19","4","2882","2893","10.1039/c6cp06562g","","","0.71069","MoKα","","0.1142","0.0874","","","0.2135","0.2582","","","","","","1.059","","","","has coordinates,has disorder","191762","2020-10-21","18:00:00",""
"7227314","13.779","0.003","18.119","0.004","22.414","0.004","90","","92.599","0.015","90","","5590","2","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 Cl F12 N10 O P2 Ru2 -","- C47 H43 Cl F12 N10 O P2 Ru2 -","- C188 H172 Cl4 F48 N40 O4 P8 Ru8 -","4","1","","Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.","Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.","Physical chemistry chemical physics : PCCP","2017","19","4","2882","2893","10.1039/c6cp06562g","","","0.71069","MoKα","","0.2005","0.1127","","","0.2734","0.3624","","","","","","1.017","","","","has coordinates","191762","2020-10-21","18:00:00",""
"7227315","17.694","0.003","17.694","0.003","21.24","0.004","90","","90","","120","","5758.9","1.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Y2 -","- C72 H60 N24 O24 Y2 -","- C144 H120 N48 O48 Y4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.1401","0.1039","","","0.2891","0.3213","","","","","","1.009","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227316","17.786","0.003","17.786","0.003","21.419","0.004","90","","90","","120","","5867.9","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 Er2 N24 O24 -","- C72 H60 Er2 N24 O24 -","- C144 H120 Er4 N48 O48 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic–inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.067","0.0594","","","0.1996","0.2076","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227317","17.788","0.003","17.788","0.003","21.332","0.004","90","","90","","120","","5845.4","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Tb2 -","- C72 H60 N24 O24 Tb2 -","- C144 H120 N48 O48 Tb4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic–inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.0645","0.0605","","","0.1654","0.169","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227324","12.5159","0.001","19.1864","0.0014","9.9596","0.0008","90","","94.649","0.003","90","","2383.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly-[bis-μ~4~-(((adamantane-1,3-diyl)‒di-(phen-4-yl))-di-(carboxylato-κO:κO'))‒bis-N,N-dimethylformamide-κO-dimanganese(II)]","","- C27 H29 Mn N O5 -","- C27 H29 Mn N O5 -","- C108 H116 Mn4 N4 O20 -","4","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.0706","0.0409","","","0.0877","0.1005","","","","","","1.015","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227325","11.0682","0.0004","13.5036","0.0005","14.6691","0.0005","70.055","0.002","79.314","0.002","87.896","0.002","2024.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly-[dimethylammonium μ~6~-(((adamantane-1,3,5-triyl)- -tri(phen-4-yl))-tri-(carboxylato-κ^2^O,O'))- -(N,N-dimethylformamide-κO)-cadmium(II)],solvate with N,N-dimethylformamide and water","","- C36 H44 Cd N2 O9 -","- C37.5 H25 Cd N1.5 O8.5 -","- C75 H50 Cd2 N3 O17 -","2","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.091","0.0713","","","0.2032","0.2217","","","","","","1.073","","","","has coordinates,has disorder","191573","2020-10-21","18:00:00",""
"7227326","17.335","0.003","17.748","0.002","19.551","0.003","90","","90","","90","","6015.1","1.5","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water","","- C38 H28 Mn O8 -","- C38 H28 Mn O8 -","- C152 H112 Mn4 O32 -","4","0.25","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.1334","0.0997","","","0.2883","0.3047","","","","","","0.944","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227331","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","Reversible water uptake by a porous molecular crystal from metal complex of gemini surfactant","CrystEngComm","2017","19","5","802","","10.1039/C6CE02197B","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","191572","2020-10-21","18:00:00",""
"7227332","18.6401","0.0005","18.6401","0.0005","39.748","0.0009","90","","90","","120","","11960.3","0.5","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","ZJU-12","","- C28 H18 Cu2 O12 -","- C28 H14 Cu2 O12 -","- C252 H126 Cu18 O108 -","9","0.25","","Duan, Xing; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A novel methoxy-decorated metal‒organic framework exhibiting high acetylene and carbon dioxide storage capacities","CrystEngComm","2017","19","11","1464","","10.1039/C6CE02291J","","","0.71073","MoKα","","0.05","0.0405","","","0.1199","0.1239","","","","","","1.171","","","","has coordinates","195039","2020-10-21","18:00:00",""
"7227333","25.4682","0.0009","25.4682","0.0009","12.316","0.0005","90","","90","","120","","6918.3","0.4","223","0.1","223","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C14 H18 Cl N3 O Se -","- C14 H16 Cl N3 O Se -","- C252 H288 Cl18 N54 O18 Se18 -","18","","","Fang, Yi; Zhu, Zheng-Lin; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Aerobic radical-cascade cycloaddition of isocyanides, selenium and imidamides: facile access to 1,2,4-selenadiazoles under metal-free conditions","Green Chem.","2017","19","7","1613","","10.1039/C6GC03521C","","","0.71073","MoKα","","0.0706","0.0475","","","0.109","0.1206","","","","","","1.05","","","","has coordinates,has disorder","195144","2020-10-21","18:00:00",""
"7227334","7.4459","0.0004","17.9293","0.0009","17.1981","0.001","90","","98.529","0.002","90","","2270.6","0.2","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","[6]helicene - PhF6 complex","","- C32 H16 F6 -","- C32 H16 F6 -","- C128 H64 F24 -","4","0.5","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0474","0.0404","","0.0943","0.0926","0.0926","","","","","","1.0302","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227335","7.5783","0.0006","20.3575","0.0016","11.4292","0.0008","90","","101.178","0.003","90","","1729.8","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetrafluoro[6]helicene","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0436","0.041","","0.0873","0.0869","0.0869","","","","","","1.0085","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227336","7.3058","0.0002","12.947","0.0005","17.4452","0.0006","90","","90","","90","","1650.11","0.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0368","0.0331","","0.0825","0.081","0.081","","","","","","0.9382","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227337","7.3417","0.0003","13.1529","0.0004","17.5885","0.0005","90","","90","","90","","1698.43","0.1","300","","300","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0508","0.0392","","0.1126","0.08","0.08","","","","","","0.982","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227338","7.328","0.0003","13.04","0.0006","17.449","0.0005","90","","90","","90","","1667.38","0.11","150","","150","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0494","0.0345","","0.0936","0.0795","0.0795","","","","","","1.0363","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227343","12.7248","0.0003","9.5216","0.0002","18.8321","0.0005","90","","90","","90","","2281.71","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(isoquinolinecarboxamide)-1,6-hexane","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C104 H104 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0527","0.0471","","","0.1358","0.1432","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227344","7.5367","0.0003","8.3723","0.0003","19.4198","0.0007","88.709","0.003","82.328","0.003","89.464","0.003","1214.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4b","","- C23 H22 Ag Cl N4 O7 -","- C23 H22 Ag Cl N4 O7 -","- C46 H44 Ag2 Cl2 N8 O14 -","2","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0362","0.0346","","","0.0946","0.0966","","","","","","1.035","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227345","19.2319","0.0008","13.1155","0.0002","9.2503","0.0004","90","","128.558","0.006","90","","1824.56","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(1-isoquinolinecarboxamide)-1,2-ethane","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0467","0.045","","","0.1138","0.1156","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227346","8.2326","0.0001","12.4302","0.0002","9.8859","0.0002","90","","102.96","0.002","90","","985.88","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(isoquinolinecarboxamide)-1,4-buthane","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0366","0.0348","","","0.0992","0.1012","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227347","13.4447","0.0004","8.7623","0.0002","17.9862","0.0005","90","","90","","90","","2118.89","0.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(isoquinolinecarboxamide)-1,5-pentane","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0404","0.0371","","","0.104","0.1078","","","","","","1.074","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227348","9.2783","0.0003","11.1478","0.0004","13.0263","0.0006","100.674","0.003","101.046","0.004","91.916","0.003","1296.18","0.09","175","0.1","175","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","1","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0334","0.0297","","","0.07","0.0732","","","","","","1.038","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227349","7.7056","0.0002","14.8087","0.0003","21.2528","0.0006","90","","117.472","0.004","90","","2151.69","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ag Cl N4 O6 -","- C22 H18 Ag Cl N4 O6 -","- C88 H72 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0355","0.0276","","","0.067","0.071","","","","","","1.03","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227350","22.6498","0.0007","9.4681","0.0003","13.4041","0.0003","90","","92.921","0.003","90","","2870.78","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26 Ag Cl N4 O6 -","- C26 H26 Ag Cl N4 O6 -","- C104 H104 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0539","0.0522","","","0.1434","0.1468","","","","","","1.072","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227351","12.2945","0.0006","18.6277","0.0008","11.5504","0.0006","90","","90","","90","","2645.3","0.2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","1f","","- C27 H28 Ag Cl N4 O6 -","- C27 H28 Ag Cl N4 O6 -","- C108 H112 Ag4 Cl4 N16 O24 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0659","0.062","","","0.1788","0.1849","","","","","","1.08","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227352","10.166","0.002","13.696","0.003","17.241","0.003","104.5","0.03","105.38","0.03","92.03","0.03","2227.5","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","2-ethylcyanoacetate-12,13-dibromo-5,10,15,20-tetraphenylporphyrin Cu(II)complex","2-ethylcyanoacetate-12,13-dibromo-5,10,15,20-tetraphenylporphyrinatocopper(II)","","- C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -","- C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -","- C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -","1","0.5","","Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.","An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.","Physical chemistry chemical physics : PCCP","2017","19","6","4530","4540","10.1039/c6cp08396j","","","0.71073","MoKα","","0.1154","0.0765","","","0.2206","0.2556","","","","","","1.032","","","","has coordinates,has disorder","193914","2020-10-21","18:00:00",""
"7227353","24.899","0.005","12.615","0.003","33.689","0.007","90","","98.7","0.03","90","","10460","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Nitro-12,13-bis(4-dicyanovinylphenyl)-meso-tetraphenylporphyrin Ni(II) complex","2-Nitro-12,13-bis(4-dicyanovinylphenyl)-5,10,15,20-tetraphenylporphyrinatonickel(II)","","- C64 H34 N9 Ni O2 -","- C64 H34 N9 Ni O2 -","- C512 H272 N72 Ni8 O16 -","8","1","","Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.","An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.","Physical chemistry chemical physics : PCCP","2017","19","6","4530","4540","10.1039/c6cp08396j","","","0.71073","MoKα","","0.2295","0.0791","","","0.1922","0.2539","","","","","","0.889","","","","has coordinates,has disorder","193914","2020-10-21","18:00:00",""
"7227354","13.236","0.003","16.471","0.003","24.435","0.005","90.79","0.03","103.49","0.03","96.01","0.03","5148","2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrin nickel(II) complex","2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrinatonickel(II)","","- C233 H141 Cl3 N20 Ni4 O16 -","- C233 H141 Cl3 N20 Ni4 O16 -","- C233 H141 Cl3 N20 Ni4 O16 -","1","0.5","","Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.","An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.","Physical chemistry chemical physics : PCCP","2017","19","6","4530","4540","10.1039/c6cp08396j","","","0.71073","MoKα","","0.17","0.0748","","","0.1995","0.2566","","","","","","0.969","","","","has coordinates,has disorder","193914","2020-10-21","18:00:00",""
"7227362","9.6638","0.0017","6.6901","0.0011","24.67","0.004","90","","99.732","0.008","90","","1572","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethenzamide-24Dihydroxybenzoic acid","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0729","0.0449","","","0.136","0.1627","","","","","","1.044","","","","has coordinates,has disorder","191570","2020-10-21","18:00:00",""
"7227363","11.1756","0.0012","11.7633","0.0014","12.2009","0.0014","95.319","0.008","102.434","0.007","100.852","0.007","1523.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethenzamide-35Dihydroxybenzoicacid dihydrate","","- C30 H33 N O16 -","- C30 H31 N O16 -","- C60 H62 N2 O32 -","2","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1767","0.0682","","","0.1688","0.2191","","","","","","0.957","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227364","14.9229","0.0008","18.9781","0.0013","21.8605","0.0014","90","","90","","90","","6191.1","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethenzamide-35Dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C256 H272 N16 O96 -","16","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0802","0.0538","","","0.1428","0.1621","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227365","15.539","0.002","7.4265","0.001","31.796","0.004","90","","90","","90","","3669.3","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethenzamide Ferulic acid","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1115","0.0511","","","0.1342","0.1617","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227366","17.8433","0.0001","8.2767","0.0003","15.1223","0.0006","90","","115.072","0.001","90","","2022.88","0.11","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Clonidine","2-(2,6-dichlorophenylamino)-2-imidazoline","","- C9 H9 Cl2 N3 -","- C9 H9 Cl2 N3 -","- C72 H72 Cl16 N24 -","8","2","","Kolesnikova, Inna N.; Rykov, Anatolii N.; Shishkov, Igor F.; Tafeenko, Victor A.; Aslanov, Leonid A.","Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies.","Physical chemistry chemical physics : PCCP","2017","19","6","4618","4626","10.1039/c6cp08401j","","","1.54186","CuKα","","0.0718","0.0402","","","0.0937","0.1089","","","","","","0.894","","","","has coordinates","193913","2020-10-21","18:00:00",""
"7227367","18.2906","0.001","7.9655","0.0004","12.6721","0.0007","90","","93.119","0.002","90","","1843.51","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dodecyltrimethylphosphonium bromide","","- C15 H34 Br P -","- C15 H34 Br P -","- C60 H136 Br4 P4 -","4","1","","Gamarra, Ana; Urpí, Lourdes; Martínez de Ilarduya, Antxon; Muñoz-Guerra, Sebastián","Crystalline structure and thermotropic behavior of alkyltrimethylphosphonium amphiphiles.","Physical chemistry chemical physics : PCCP","2017","19","6","4370","4382","10.1039/c6cp08304h","","","0.71073","MoKα","","0.048","0.0298","","","0.072","0.0814","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227370","9.45444","0.00013","17.6795","0.0003","14.4839","0.0002","90","","93.4373","0.0013","90","","2416.63","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Glibenclamide","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide","","- C23 H28 Cl N3 O5 S -","- C23 H28 Cl N3 O5 S -","- C92 H112 Cl4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0553","0.0504","","","0.1387","0.1458","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227371","19.5991","0.0016","5.8086","0.0003","23.4722","0.0017","90","","108.746","0.008","90","","2530.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Glibenclamide-sodiumhydrate salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium-hydrate","","- C23 H27 Cl N3 Na O6 S -","- C23 H27 Cl N3 Na O6 S -","- C92 H108 Cl4 N12 Na4 O24 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.1202","0.0844","","","0.2244","0.275","","","","","","1.044","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227372","19.718","0.004","6.1475","0.0011","21.732","0.005","90","","109.25","0.02","90","","2487","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Glibenclamide-ammonium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-ammonium","","- C23 H31 Cl N4 O5 S -","- C23 H31 Cl N4 O5 S -","- C92 H124 Cl4 N16 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.2463","0.0644","","","0.0682","0.0919","","","","","","0.77","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227373","10.9425","0.001","10.1583","0.0007","11.5023","0.0011","90","","91.164","0.009","90","","1278.3","0.19","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C46 H54 Cl2 N6 Na2 O10 S2 -","2","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0867","0.0617","","","0.1366","0.1569","","","","","","1.069","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227374","19.819","0.004","6.2006","0.0009","21.636","0.005","90","","109.69","0.02","90","","2503.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamide-potassium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-potassium","","- C23 H27 Cl K N3 O5 S -","- C23 H27 Cl K N3 O5 S -","- C92 H108 Cl4 K4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1575","0.0832","","","0.2247","0.2568","","","","","","0.984","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227375","19.7594","0.0013","6.1759","0.0003","21.556","0.0015","90","","109.627","0.007","90","","2477.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C92 H108 Cl4 N12 Na4 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1174","0.0834","","","0.2207","0.2495","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227376","6.4396","0.0012","9.0583","0.0018","13.442","0.003","89.677","0.004","85.919","0.004","89.345","0.003","782","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0435","0.036","","","0.0789","0.0816","","","","","","1.07","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227377","6.4157","0.0009","9.0257","0.0013","13.4267","0.0019","89.703","0.003","85.968","0.003","89.342","0.002","775.51","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0427","0.0325","","","0.0667","0.0706","","","","","","1.022","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227378","6.4331","0.0006","9.0449","0.0008","13.4358","0.0012","89.788","0.002","85.905","0.002","89.405","0.002","779.74","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0367","0.0307","","","0.0714","0.0739","","","","","","1.045","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227379","6.3914","0.0005","8.9902","0.0007","13.4028","0.001","89.716","0.002","85.997","0.002","89.332","0.002","768.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0287","0.0248","","","0.0535","0.0549","","","","","","1.018","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227380","6.3769","0.0005","8.9671","0.0007","13.3816","0.001","89.736","0.001","85.988","0.001","89.368","0.001","763.26","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0254","0.021","","","0.0452","0.0467","","","","","","1.046","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227381","6.3612","0.0004","8.9542","0.0005","13.3901","0.0008","89.708","0.001","86.066","0.001","89.343","0.001","760.84","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0238","0.021","","","0.0459","0.0468","","","","","","1.029","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227382","6.5822","0.0004","8.0601","0.0005","13.0454","0.0008","102.873","0.001","91.157","0.001","101.766","0.001","658.97","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0271","0.0236","","","0.0506","0.0519","","","","","","1.056","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227383","6.5746","0.0005","8.0495","0.0006","13.0264","0.0009","102.932","0.001","91.116","0.001","101.825","0.001","656.1","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0266","0.0239","","","0.0617","0.0631","","","","","","0.996","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227384","6.5663","0.0004","8.0384","0.0005","13.0187","0.0008","102.924","0.001","91.179","0.001","101.852","0.001","653.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0236","0.02","","","0.0431","0.0443","","","","","","1.037","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227385","9.008","0.0004","15.383","0.0006","15.627","0.0006","90","","90","","90","","2165.43","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7,7'-(Naphthalene-1,8-diyl)bis(4-methylcoumarin)","","- C30 H20 O4 -","- C30 H20 O4 -","- C120 H80 O16 -","4","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.","Physical chemistry chemical physics : PCCP","2017","19","6","4758","4767","10.1039/c6cp07720j","","","0.71073","MoKα","","0.1288","0.058","","","0.0947","0.1123","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227386","11.798","0.005","12.109","0.005","12.211","0.005","95.007","0.005","102.009","0.005","110.256","0.005","1576.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","7-(2,3,5,6-Tetramethylphenyl)-4-methylcoumarin","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.","Physical chemistry chemical physics : PCCP","2017","19","6","4758","4767","10.1039/c6cp07720j","","","0.71073","MoKα","","0.1462","0.0834","","","0.218","0.2558","","","","","","0.975","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227387","15.247","0.0004","5.005","0.0001","10.4052","0.0003","90","","131.936","0.001","90","","590.68","0.03","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","","0.71073","MoKα","","0.026","0.0247","","0.0678","0.0654","0.0678","","","","","","0.9705","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227388","15.075","0.003","4.9857","0.0015","10.382","0.004","90","","131.84","0.02","90","","581.3","0.4","293","","293","","","","680000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.71073","MoKα","","0.1202","0.118","","0.2333","0.223","0.2333","","","","","","0.9262","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227389","14.342","0.013","4.8946","0.0011","10.487","0.014","90","","133.01","0.03","90","","538.3","0.9","293","","293","","","","3430000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0622","0.0607","","0.168","0.1641","0.168","","","","","","0.9991","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227390","14.84","0.03","4.98","0.012","10.36","0.04","90","","131.64","0.15","90","","572","3","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","","0.71073","MoKα","","0.0712","0.0679","","0.1797","0.1683","0.1797","","","","","","1.0302","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227391","14.168","0.008","4.8351","0.0006","10.715","0.008","90","","134.825","0.018","90","","520.6","0.5","293","","293","","","","4410000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0643","0.0566","","0.179","0.1495","0.179","","","","","","1.0688","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227392","14.095","0.008","4.8107","0.0005","10.788","0.008","90","","135.458","0.018","90","","513.1","0.5","293","","293","","","","4820000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0455","0.0447","","0.1463","0.1417","0.1463","","","","","","0.9874","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227393","14.639","0.007","4.9393","0.0005","10.379","0.007","90","","132.027","0.013","90","","557.5","0.5","293","","293","","","","2290000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0476","0.0465","","0.1218","0.1203","0.1218","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227394","15.181","0.002","4.9938","0.0002","10.405","0.002","90","","131.943","0.006","90","","586.73","0.15","293","","293","","","","137000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartraate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.71073","MoKα","","0.057","0.056","","0.1808","0.1781","0.1808","","","","","","1.0972","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227395","14.477","0.006","4.9154","0.0005","10.425","0.007","90","","132.46","0.013","90","","547.3","0.5","293","","293","","","","2950000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0578","0.0548","","0.1501","0.1456","0.1501","","","","","","1.0222","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227396","14.024","0.008","4.789","0.0006","10.837","0.008","90","","135.927","0.019","90","","506.3","0.5","293","","293","","","","5520000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0646","0.0534","","0.1876","0.1597","0.1876","","","","","","0.9326","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227397","14.67","0.02","4.946","0.003","10.365","0.011","90","","131.97","0.05","90","","559.2","1.1","293","","293","","","","2010000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0507","0.0491","","0.1348","0.1328","0.1348","","","","","","1.0045","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227398","14.231","0.009","4.856","0.0006","10.642","0.009","90","","134.235","0.018","90","","526.9","0.6","293","","293","","","","4030000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0534","0.052","","0.1377","0.1355","0.1377","","","","","","0.9881","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227399","14.126","0.008","4.8218","0.0006","10.753","0.008","90","","135.162","0.018","90","","516.4","0.5","293","","293","","","","4660000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0463","0.0447","","0.1128","0.1104","0.1128","","","","","","0.9913","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227400","10.5437","0.0003","10.6658","0.0004","11.1228","0.0004","86.656","0.003","71.241","0.003","82.672","0.003","1174.52","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N3 O5 P -","- C24 H30 N3 O5 P -","- C48 H60 N6 O10 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0833","0.0751","","","0.1925","0.2047","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227401","8.9355","0.0003","9.377","0.0003","9.3907","0.0002","93.415","0.002","92.982","0.002","103.905","0.003","760.63","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O6 P -","- C13 H20 N O6 P -","- C26 H40 N2 O12 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0332","0.0318","","","0.087","0.0882","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227402","14.0712","0.0003","7.6213","0.0002","15.6474","0.0004","90","","109.97","0.002","90","","1577.14","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N O7 P -","- C13 H22 N O7 P -","- C52 H88 N4 O28 P4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","1.54184","CuKα","","0.04","0.037","","","0.0985","0.1006","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227403","10.145","0.003","10.145","0.003","31.351","0.011","90","","90","","90","","3226.7","1.8","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0613","0.0548","","","0.1045","0.1077","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227404","13.2233","0.0004","13.8858","0.0006","14.518","0.0009","84.034","0.004","80.465","0.004","80.694","0.003","2586.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H63 F3 N3 O16 P3 S -","- C37 H63 F3 N3 O16 P3 S -","- C74 H126 F6 N6 O32 P6 S2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0719","0.0554","","","0.1399","0.1515","","","","","","1.017","","","","has coordinates,has disorder","301865","2025-08-22","16:17:11",""
"7227405","18.824","0.011","34.1","0.02","16.321","0.011","90","","91.078","0.011","90","","10475","11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 N3 O13 P3 -","- C36 H62 N3 O13 P3 -","- C288 H496 N24 O104 P24 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.1222","0.0912","","","0.2416","0.271","","","","","","1.1","","","","has coordinates,has disorder","301865","2025-08-22","16:17:11",""
"7227406","8.163","0.0008","21.2184","0.0019","11.3124","0.001","90","","102.267","0.009","90","","1914.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O5 P S -","- C15 H28 N O5 P S -","- C60 H112 N4 O20 P4 S4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.1457","0.0881","","","0.1893","0.2271","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227407","11.778","0.003","14.601","0.004","16.488","0.004","90","","103.452","0.004","90","","2757.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N O4.5 P -","- C12 H21 N O4.5 P -","- C96 H168 N8 O36 P8 -","8","2","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0361","0.0323","","","0.0811","0.0837","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227408","8.455","0.0017","13.485","0.003","14.017","0.003","115.54","0.03","95.02","0.03","94.99","0.03","1422.6","0.7","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0429","0.0325","","","0.0755","0.0804","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227409","8.874","0.0018","9.5171","0.0018","11.986","0.002","84.921","0.003","85.114","0.004","74.714","0.004","970.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.1381","0.0845","","","0.2257","0.3312","","","","","","1.171","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227410","38.142","0.008","11.411","0.002","29.647","0.006","90","","129.94","0.03","90","","9893","5","153.15","","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N6 O21 S Zn4 -","- C42 H44 N6 O21 S Zn4 -","- C336 H352 N48 O168 S8 Zn32 -","8","1","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0931","0.073","","","0.2008","0.2215","","","","","","1.061","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227411","7.82","0.004","18.768","0.009","25.836","0.012","80.419","0.016","82.135","0.019","83.58","0.03","3688","3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0961","0.0588","","","0.1467","0.164","","","","","","1.0362","","","","has coordinates,has disorder","193771","2020-10-21","18:00:00",""
"7227412","26.047","0.0011","26.047","0.0011","41.751","0.002","90","","90","","120","","24530.9","1.9","150","2","150","","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C864 H648 Ag36 B30 F120 N144 O36 S72 -","6","","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0983","0.0547","","","0.1432","0.1697","","","","","","1.0586","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227413","7.5797","0.0002","10.6965","0.0003","17.3538","0.0005","103.551","0.001","101.676","0.001","90.482","0.001","1337.2","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0705","0.0492","","","0.1297","0.1424","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227436","13.4938","0.0004","8.7231","0.0003","22.5819","0.0006","90","","95.3654","0.0011","90","","2646.42","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Mn N5 O7 -","- C27 H26 Mn N5 O7 -","- C108 H104 Mn4 N20 O28 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0383","0.0312","","","0.0805","0.0846","","","","","","1.052","","","","has coordinates,has disorder","193759","2020-10-21","18:00:00",""
"7227437","7.4909","0.0002","11.8073","0.0004","24.3162","0.0008","90","","90","","90","","2150.7","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H18 Mn N8 O8 -","- C14 H18 Mn N8 O8 -","- C56 H72 Mn4 N32 O32 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0452","0.0421","","","0.1113","0.1133","","","","","","1.097","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227438","9.1567","0.0004","10.545","0.0005","14.0966","0.0006","90","","97.5786","0.0007","90","","1349.24","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag2 Mn N12 -","- C24 H16 Ag2 Mn N12 -","- C48 H32 Ag4 Mn2 N24 -","2","0.5","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0145","0.0135","","","0.034","0.0344","","","","","","1.058","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227451","5.4625","0.0004","6.5901","0.0006","29.293","0.003","90","","90.889","0.006","90","","1054.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co3 O10 P2 -","- C18 H20 Co3 O10 P2 -","- C36 H40 Co6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.0604","0.0414","","","0.083","0.0897","","","","","","1.04","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227452","5.6315","0.0004","6.7154","0.0005","29.169","0.003","90","","91.174","0.006","90","","1102.88","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mn3 O10 P2 -","- C18 H20 Mn3 O10 P2 -","- C36 H40 Mn6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.1072","0.0885","","","0.1932","0.2018","","","","","","1.083","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227453","9.2637","0.0004","10.3529","0.0004","10.4849","0.0005","86.787","0.004","75.671","0.004","82.064","0.004","964.7","0.07","293","","293","","","","","","","","","3","P -1","-P 1","2","","N-((1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)(phenyl)methyl)aniline","","- C22 H21 N5 -","- C22 H21 N5 -","- C44 H42 N10 -","2","1","","Pharande, Shrikant G.; Corrales Escobosa, Alma Rosa; Gámez-Montaño, Rocío","Endogenous water-triggered and ultrasound accelerated synthesis of 1,5-disubstituted tetrazoles via a solvent and catalyst-free Ugi-azide reaction","Green Chem.","2017","19","5","1259","","10.1039/C6GC03324E","","x-ray","0.71073","MoKα","","0.0699","0.0533","","","0.1293","0.1424","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227454","8.7719","0.0017","12.685","0.002","12.779","0.003","90","","90","","90","","1421.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 F6 P Ru -","- C13 H15 F6 P Ru -","- C52 H60 F24 P4 Ru4 -","4","1","","Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki","Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.","Physical chemistry chemical physics : PCCP","2017","19","6","4352","4359","10.1039/c6cp08308k","","","0.71073","MoKα","","0.048","0.0469","","","0.1128","0.114","","","","","","1.045","","","","has coordinates","193912","2020-10-21","18:00:00",""
"7227455","7.2375","0.0014","17.759","0.003","20.303","0.004","90","","97.97","0.002","90","","2584.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 Ru -","- C15 H11 N3 Ru -","- C120 H88 N24 Ru8 -","8","2","","Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki","Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.","Physical chemistry chemical physics : PCCP","2017","19","6","4352","4359","10.1039/c6cp08308k","","","0.71073","","","0.0459","0.0379","","","0.0901","0.0962","","","","","","1.013","","","","has coordinates","193912","2020-10-21","18:00:00",""
"7227474","44.778","0.005","5.5195","0.0006","8.2452","0.0009","90","","93.029","0.009","90","","2035","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-phenoxyphenyl)-6-(p-tolyl)-1,2,4,5-tetrazine","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C96 H88 N16 O4 -","4","1","","Fang, Zheng; Hu, Wen-Li; Liu, De-Yong; Yu, Chu-Yi; Hu, Xiang-Guo","Synthesis of tetrazines from gem-difluoroalkenes under aerobic conditions at room temperature","Green Chem.","2017","19","5","1299","","10.1039/C6GC03494B","","","0.71073","MoKα","","0.1254","0.0942","","","0.2486","0.2688","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227475","4.8044","0.0003","34.603","0.003","9.8785","0.0007","90","","100.443","0.007","90","","1615.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-bis(4-bromophenyl)-1,2,4,5-tetrazine","","- C16 H12 Br2 N4 -","- C16 H12 Br2 N4 -","- C64 H48 Br8 N16 -","4","1","","Fang, Zheng; Hu, Wen-Li; Liu, De-Yong; Yu, Chu-Yi; Hu, Xiang-Guo","Synthesis of tetrazines from gem-difluoroalkenes under aerobic conditions at room temperature","Green Chem.","2017","19","5","1299","","10.1039/C6GC03494B","","","0.71073","MoKα","","0.1105","0.0744","","","0.2029","0.2436","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227476","16.8878","0.0011","13.8408","0.0013","14.4153","0.0013","90","","109.557","0.002","90","","3175.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H49 B2 Cl3 F4 N10 O4 -","- C73 H49 B2 Cl3 F4 N10 O4 -","- C146 H98 B4 Cl6 F8 N20 O8 -","2","0.5","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1405","0.0761","","","0.1762","0.2059","","","","","","1.039","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227477","14.4266","0.0005","16.319","0.0006","27.6414","0.0011","90","","90","","90","","6507.6","0.4","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C148 H104 Ag2 B6 F16 N20 O9 -","- C148 H96 Ag2 B6 F16 N20 O9 -","- C296 H192 Ag4 B12 F32 N40 O18 -","2","0.25","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1281","0.0635","","","0.1782","0.2147","","","","","","1.054","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227478","9.1444","0.0008","12.27","0.0008","13.4648","0.001","110.287","0.002","95.118","0.003","90.687","0.003","1409.92","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N5 O2 -","- C36 H25 N5 O2 -","- C72 H50 N10 O4 -","2","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1637","0.077","","","0.1371","0.1643","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227479","29.311","0.0013","15.3218","0.0005","18.7508","0.0007","90","","110.666","0.003","90","","7879.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag B2 F6 N5 O2 -","- C36 H24 Ag B2 F6 N5 O2 -","- C288 H192 Ag8 B16 F48 N40 O16 -","8","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.0843","0.0532","","","0.16","0.1822","","","","","","1.042","","","","has coordinates,has disorder","193757","2020-10-21","18:00:00",""
"7227480","16.9698","0.0008","12.9677","0.0007","13.8541","0.0008","90","","108.953","0.002","90","","2883.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B F2 N5 O2 -","- C36 H24 B F2 N5 O2 -","- C144 H96 B4 F8 N20 O8 -","4","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1289","0.0642","","","0.1339","0.1576","","","","","","1.032","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227481","18.8302","0.0003","13.26542","0.00018","18.4305","0.0002","90","","105.958","0.0014","90","","4426.36","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PCBM-C60","PCBM*1-MN","","- C83 H24 O2 -","- C83 H24 O2 -","- C332 H96 O8 -","4","1","","Xue, Hong-Tao; Boschetto, Gabriele; Krompiec, Michal; Morse, Graham E.; Tang, Fu-Ling; Skylaris, Chris-Kriton","Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates.","Physical chemistry chemical physics : PCCP","2017","19","7","5617","5628","10.1039/c6cp08165g","","","1.54178","CuKα","","0.0758","0.0687","","","0.1817","0.1921","","","","","","1.032","","","","has coordinates","193915","2020-10-21","18:00:00",""
"7227486","9.5976","0.0005","11.9814","0.0009","21.8713","0.0011","90","","100.945","0.004","90","","2469.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl3 Cu K O9 -","- C16 H34 Cl3 Cu K O9 -","- C64 H136 Cl12 Cu4 K4 O36 -","4","1","","van Well, Natalija; Bolte, Michael; Delley, Bernard; Wolf, Bernd; Lang, Michael; Schefer, Jürg; Rüegg, Christian; Assmus, Wolf; Krellner, Cornelius","Interplay between structure and magnetism in the low-dimensional spin system: K(C8H16O4)2CuCl3·H2O","CrystEngComm","2017","19","7","1028","","10.1039/C6CE02331B","","","0.71073","MoKα","","0.0575","0.0515","","","0.1245","0.1282","","","","","","1.061","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7227487","49.6795","0.0009","49.6795","0.0009","23.7404","0.0008","90","","90","","120","","50743","2","173","2","173","","","","","","","","","7","R -3","-R 3","148","","","","- C24 H45 N12 Ni2 O42 Si W11 -","- C24 H37 N12 Ni2 O40 Si W11 -","- C432 H666 N216 Ni36 O720 Si18 W198 -","18","","","Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min","A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid","CrystEngComm","2017","19","13","1721","","10.1039/C6CE02420C","","","0.71073","MoKα","","0.0531","0.0379","","","0.1015","0.1077","","","","","","1.116","","","","has coordinates,has disorder","195022","2020-10-21","18:00:00",""
"7227513","11.9096","0.001","5.5828","0.0004","17.2361","0.0015","90","","102.291","0.009","90","","1119.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinic acid : Nicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0886","0.0704","","","0.1707","0.179","","","","","","1.138","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227514","6.9822","0.0004","7.1747","0.0005","12.7208","0.0009","76.298","0.006","83.08","0.005","69.036","0.006","577.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Picolinic acid : Isonicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0718","0.0499","","","0.1145","0.1295","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227515","26.886","0.003","10.6027","0.0018","16.7359","0.0018","90","","119.293","0.002","90","","4160.8","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","S3","","","- C24 H23 N3 O S -","- C24 H23 N3 O S -","- C192 H184 N24 O8 S8 -","8","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.053","0.0396","","","0.1093","0.1184","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227516","6.5","0.007","26.53","0.03","12.8","0.013","90","","104.287","0.014","90","","2139","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","22","","- C24 H22 B F2 N3 O S -","- C24 H22 B F2 N3 O S -","- C96 H88 B4 F8 N12 O4 S4 -","4","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.1108","0.0766","","","0.2161","0.2566","","","","","","0.977","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227517","6.025","0.018","6.025","0.018","26.95","0.08","90","","90","","90","","978","5","173","","173","","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C24 H16 Co4 N24 O16 -","4","","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1173","0.0977","","","0.2787","0.2973","","","","","","1.205","","","","has coordinates","195019","2020-10-21","18:00:00",""
"7227518","8.462","0.008","14.549","0.015","18.799","0.018","90","","90","","90","","2314","4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C48 H32 N48 O32 Zn8 -","8","1","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1007","0.0942","","","0.1976","0.2008","","","","","","1.376","","","","has coordinates,has disorder","195019","2020-10-21","18:00:00",""
"7227519","11.0928","0.0002","12.4805","0.0002","15.1388","0.0002","81.463","0.001","83.416","0.001","64.133","0.001","1862.06","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Sm","","","- C48 H72 Cu2 I2 N14 O23 Sm2 -","- C48 H72 Cu2 I2 N14 O23 Sm2 -","- C48 H72 Cu2 I2 N14 O23 Sm2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0279","0.0245","","","0.0764","0.0791","","","","","","1.024","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227520","11.1874","0.0008","12.6","0.0009","15.1798","0.0011","92.528","0.001","96.837","0.001","116.289","0.001","1893.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Eu","","","- C48 H72 Cu2 Eu2 I2 N14 O23 -","- C48 H72 Cu2 Eu2 I2 N14 O23 -","- C48 H72 Cu2 Eu2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0326","0.0274","","","0.0894","0.0975","","","","","","1.02","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227521","11.1994","0.0012","12.5884","0.0014","15.174","0.0017","92.438","0.002","96.979","0.002","116.308","0.001","1892.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Gd","","","- C48 H72 Cu2 Gd2 I2 N14 O23 -","- C48 H72 Cu2 Gd2 I2 N14 O23 -","- C48 H72 Cu2 Gd2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0291","0.0261","","","0.0796","0.0821","","","","","","1.024","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227522","11.2008","0.001","12.5798","0.0011","15.1576","0.0014","92.291","0.001","97.131","0.001","116.347","0.001","1888.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Tb","","","- C48 H72 Cu2 I2 N14 O23 Tb2 -","- C48 H72 Cu2 I2 N14 O23 Tb2 -","- C48 H72 Cu2 I2 N14 O23 Tb2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0269","0.0249","","","0.0779","0.0799","","","","","","1.024","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227523","11.1272","0.0005","12.4509","0.0006","15.132","0.0007","81.365","0.001","82.847","0.001","63.926","0.001","1857.69","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Dy","","","- C48 H72 Cu2 Dy2 I2 N14 O23 -","- C48 H72 Cu2 Dy2 I2 N14 O23 -","- C48 H72 Cu2 Dy2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.024","0.0222","","","0.0698","0.0713","","","","","","1.025","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227524","11.1399","0.0009","12.4564","0.001","15.1237","0.0012","81.32","0.001","82.723","0.001","63.883","0.001","1858.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Ho","","","- C48 H72 Cu2 Ho2 I2 N14 O23 -","- C48 H72 Cu2 Ho2 I2 N14 O23 -","- C48 H72 Cu2 Ho2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0232","0.0218","","","0.0705","0.0719","","","","","","1.029","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227525","11.2006","0.0009","12.5227","0.001","15.113","0.0013","92.084","0.001","97.414","0.001","116.45","0.001","1871.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Er","","","- C48 H72 Cu2 Er2 I2 N14 O23 -","- C48 H72 Cu2 Er2 I2 N14 O23 -","- C48 H72 Cu2 Er2 I2 N14 O23 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.025","0.0228","","","0.0722","0.074","","","","","","1.047","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227526","11.1943","0.0004","12.4986","0.0004","15.077","0.0005","91.996","0.002","97.522","0.002","116.512","0.002","1861.03","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Yb","","","- C48 H72 Cu2 I2 N14 O23 Yb2 -","- C48 H72 Cu2 I2 N14 O23 Yb2 -","- C48 H72 Cu2 I2 N14 O23 Yb2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0281","0.0248","","","0.078","0.081","","","","","","1.043","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227527","11.2135","0.0007","12.5387","0.0007","15.1202","0.0009","92.092","0.001","97.415","0.001","116.389","0.001","1877.91","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1-Y","","","- C48 H72 Cu2 I2 N14 O23 Y2 -","- C48 H72 Cu2 I2 N14 O23 Y2 -","- C48 H72 Cu2 I2 N14 O23 Y2 -","1","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.0379","0.0322","","","0.1095","0.1141","","","","","","1.027","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227528","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227529","17.889","0.002","31.835","0.004","24.831","0.003","90","","90","","90","","14141","3","150","2","150","2","","","","","","","","9","C 2 2 21","C 2c 2","20","2-Nd","","","- C48 H40 Cl0 Cu8 I8 N8 Na2 Nd2 O25 -","- C48 H40 Cu8 I8 N8 Na2 Nd2 O25 -","- C192 H160 Cu32 I32 N32 Na8 Nd8 O100 -","4","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.1594","0.0853","","","0.2168","0.2635","","","","","","1.071","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227530","30.225","0.003","16.6117","0.0011","31.83","0.002","90","","116.663","0.004","90","","14282","2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H22 Co F15 N6 O2 -","- C49 H22 Co F15 N6 O2 -","- C588 H264 Co12 F180 N72 O24 -","12","1.5","","Xu, Liang; Lei, Haitao; Zhang, Zongyao; Yao, Zhen; Li, Jianfeng; Yu, Zhiyong; Cao, Rui","The effect of the trans axial ligand of cobalt corroles on water oxidation activity in neutral aqueous solutions.","Physical chemistry chemical physics : PCCP","2017","19","15","9755","9761","10.1039/c6cp08495h","","","0.71073","MoKα","","0.1465","0.0994","","","0.2571","0.298","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227531","9.181","0.003","9.435","0.003","18.057","0.005","97.901","0.005","104.26","0.005","102.17","0.005","1452","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","k161003","","- C34 H27 F2 N O2 Pt Si -","- C34 H27 F2 N O2 Pt Si -","- C68 H54 F4 N2 O4 Pt2 Si2 -","2","1","","Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook","Steric effect on excimer formation in planar Pt(ii) complexes.","Physical chemistry chemical physics : PCCP","2017","19","7","5486","5494","10.1039/c6cp08651a","","","0.71073","MoKα","","0.0358","0.03","","","0.0695","0.0851","","","","","","1.03","","","","has coordinates","193916","2020-10-21","18:00:00",""
"7227532","10.3177","0.0009","7.676","0.0007","19.0308","0.0016","90","","92.402","0.001","90","","1505.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","k161102","","- C16 H13 F2 N O2 Pt -","- C16 H13 F2 N O2 Pt -","- C64 H52 F8 N4 O8 Pt4 -","4","1","","Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook","Steric effect on excimer formation in planar Pt(ii) complexes.","Physical chemistry chemical physics : PCCP","2017","19","7","5486","5494","10.1039/c6cp08651a","","","0.71073","MoKα","","0.0353","0.0286","","","0.0746","0.0793","","","","","","1.045","","","","has coordinates","193916","2020-10-21","18:00:00",""
"7227533","9.8803","0.0002","24.2747","0.0005","10.4047","0.0002","90","","114.042","0.001","90","","2278.99","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N8 O7 S2 Zn -","- C12 H26 N8 O7 S2 Zn -","- C48 H104 N32 O28 S8 Zn4 -","4","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0413","0.0306","","","0.0841","0.0966","","","","","","1.098","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227534","14.7144","0.0006","7.0324","0.0003","21.4403","0.0008","90","","90","","90","","2218.59","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N6 Ni O S3 -","- C14 H19 N6 Ni O S3 -","- C56 H76 N24 Ni4 O4 S12 -","4","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0943","0.0484","","","0.1373","0.1795","","","","","","1.094","","","","has coordinates,has disorder","193764","2020-10-21","18:00:00",""
"7227535","8.6284","0.0004","10.0416","0.0004","11.2867","0.0005","74.662","0.002","69.52","0.002","89.89","0.002","879.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","1","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0372","0.0342","","","0.0954","0.0989","","","","","","1.049","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227536","9.0012","0.0004","11.2753","0.0004","12.1281","0.0005","94.572","0.002","105.603","0.002","112.913","0.002","1068.14","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Cu N7 O S2 -","- C15 H29 Cu N7 O S2 -","- C30 H58 Cu2 N14 O2 S4 -","2","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0415","0.0308","","","0.0806","0.0966","","","","","","1.146","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227537","9.8527","0.0003","14.1937","0.0004","15.1185","0.0004","113.748","0.001","103.82","0.001","97.895","0.001","1813.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu N6 S2 -","- C12 H22 Cu N6 S2 -","- C48 H88 Cu4 N24 S8 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0625","0.0356","","","0.1001","0.1255","","","","","","1","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227538","8.8078","0.0017","15.696","0.003","16.873","0.004","82.42","0.011","88.292","0.01","79.428","0.01","2273","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 N7 O4 S2 Zn -","- C14 H29 N7 O4 S2 Zn -","- C56 H116 N28 O16 S8 Zn4 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0747","0.0518","","","0.1488","0.1769","","","","","","1.051","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227539","15.2729","0.0008","6.9098","0.0004","23.4483","0.0011","90","","91.266","0.004","90","","2474","0.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F2 N O2 -","- C14 H12 B F2 N O2 -","- C112 H96 B8 F16 N8 O16 -","8","2","","Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys","Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.","Physical chemistry chemical physics : PCCP","2017","19","8","5705","5708","10.1039/c7cp00063d","","x-ray","1.54184","CuKα","","0.103","0.0866","","","0.2297","0.2377","","","","","","1.168","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227540","31.155","0.006","7.7105","0.0015","11.419","0.002","90","","90","","90","","2743.1","0.9","170","","170","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H15 B F2 N2 O -","- C15 H15 B F2 N2 O -","- C120 H120 B8 F16 N16 O8 -","8","2","","Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys","Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.","Physical chemistry chemical physics : PCCP","2017","19","8","5705","5708","10.1039/c7cp00063d","","","0.71073","MoKα","","0.0502","0.0365","","","0.0732","0.0786","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227553","7.1841","0.0014","18.013","0.004","14.832","0.003","90","","95.33","0.03","90","","1911.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F N0 O2 S Se -","- C21 H17 F O2 S Se -","- C84 H68 F4 O8 S4 Se4 -","4","1","","Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin","Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway","Green Chem.","2017","19","6","1490","","10.1039/C6GC03420A","","","0.71073","MoKα","","0.0786","0.055","","","0.1703","0.189","","","","","","1.061","","","","has coordinates","195140","2020-10-21","18:00:00",""
"7227554","8.7143","0.0017","10.963","0.002","12.352","0.003","91.21","0.03","95.23","0.03","108.64","0.03","1111.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 N0 O2 S Se -","- C24 H24 O2 S Se -","- C48 H48 O4 S2 Se2 -","2","1","","Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin","Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway","Green Chem.","2017","19","6","1490","","10.1039/C6GC03420A","","","0.71073","MoKα","","0.1045","0.0549","","","0.1672","0.2168","","","","","","1.026","","","","has coordinates","195140","2020-10-21","18:00:00",""
"7227555","14.693","0.003","13.577","0.003","17.032","0.003","90","","94.54","0.03","90","","3387","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N0 O2 S Se -","- C18 H18 O2 S Se -","- C144 H144 O16 S8 Se8 -","8","1","","Sun, Kai; Wang, Xin; Fu, Fangfang; Zhang, Chong; Chen, Yao; Liu, Lin","Metal-free selenosulfonylation of alkynes: rapid access to β-(seleno)vinyl sulfones via a cationic-species-induced pathway","Green Chem.","2017","19","6","1490","","10.1039/C6GC03420A","","","0.71073","MoKα","","0.0375","0.0289","","","0.0737","0.0773","","","","","","1.038","","","","has coordinates","195140","2020-10-21","18:00:00",""
"7227558","14.2221","0.0006","25.5903","0.001","10.381","0.0004","90","","93.552","0.0011","90","","3770.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 I6 La2 N6 O14 -","- C72 H50 I6 La2 N6 O14 -","- C144 H100 I12 La4 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.076","0.0471","","","0.116","0.1332","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227559","11.1864","0.0009","12.786","0.0007","14.4367","0.0008","68.885","0.001","88.375","0.003","72.644","0.002","1831.3","0.2","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0446","0.0363","","","0.0973","0.1033","","","","","","1.038","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227560","11.198","0.005","13.03","0.005","14.604","0.005","69.314","0.004","89.085","0.003","72.956","0.005","1896.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0345","0.0264","","","0.0597","0.0637","","","","","","1.036","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227561","14.247","0.0011","25.523","0.002","10.3649","0.0008","90","","93.3","0.0009","90","","3762.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C144 H100 Ce4 I12 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0731","0.0441","","","0.0999","0.1151","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227562","10.0196","0.0004","10.467","0.0004","15.3792","0.0006","85.225","0.001","75.107","0.002","75.17","0.001","1506.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0529","0.0395","","","0.0829","0.0886","","","","","","1.061","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227563","11.1925","0.0005","12.7725","0.0005","14.436","0.0006","68.862","0.002","88.312","0.001","72.624","0.001","1829.91","0.14","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0654","0.0449","","","0.0996","0.1092","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227564","11.194","0.003","12.797","0.004","14.456","0.004","68.894","0.003","88.362","0.004","72.638","0.004","1836.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.062","0.0417","","","0.0984","0.1096","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227565","11.1808","0.0005","12.8254","0.0005","14.4618","0.0006","68.892","0.001","88.445","0.0011","72.691","0.0009","1839.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0711","0.0488","","","0.1372","0.1508","","","","","","1.048","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227566","11.2147","0.0005","12.8161","0.0006","14.4733","0.0007","68.947","0.002","88.417","0.001","72.681","0.001","1845.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.054","0.0369","","","0.0763","0.0842","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227567","9.9471","0.0003","10.5094","0.0004","15.3693","0.0005","85.325","0.001","75.351","0.002","74.913","0.001","1500.66","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0728","0.0758","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227568","8.79","0.0013","13.516","0.002","15.488","0.002","103.43","0.003","91.225","0.002","93.761","0.002","1784.6","0.4","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 Lu N3 O7 -","- C36 H25 I3 Lu N3 O7 -","- C72 H50 I6 Lu2 N6 O14 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0318","0.0273","","","0.0611","0.0631","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227569","8.7843","0.0005","13.5206","0.0007","15.4808","0.0008","103.471","0.001","91.197","0.0011","93.745","0.0012","1783","0.17","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Yb -","- C36 H25 I3 N3 O7 Yb -","- C72 H50 I6 N6 O14 Yb2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0404","0.0305","","","0.0731","0.0785","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227570","11.2083","0.0004","12.8703","0.0005","14.5009","0.0006","69.063","0.002","88.615","0.001","72.74","0.001","1857.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0588","0.04","","","0.0786","0.0867","","","","","","1.037","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227571","11.1954","0.0007","12.8463","0.0008","14.4794","0.0008","69.023","0.001","88.579","0.002","72.752","0.001","1849.22","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0581","0.0407","","","0.0849","0.093","","","","","","1.034","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227572","11.2063","0.0003","12.9586","0.0004","14.5704","0.0004","69.231","0.0011","88.87","0.002","72.899","0.001","1882.44","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0364","0.0313","","","0.0751","0.0788","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227573","11.2048","0.0004","12.9132","0.0005","14.5273","0.0006","69.134","0.001","88.722","0.001","72.806","0.002","1868.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.05","0.0366","","","0.0758","0.0822","","","","","","0.977","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227574","11.2063","0.0003","12.7987","0.0004","14.4542","0.0004","68.914","0.001","88.394","0.002","72.64","0.001","1838.85","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.048","0.0359","","","0.0782","0.0837","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227575","11.152","0.0003","12.9748","0.0004","14.5744","0.0004","69.246","0.001","88.95","0.002","73.066","0.001","1877.98","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0498","0.0379","","","0.0917","0.0986","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227576","8.7799","0.0004","13.563","0.0006","15.5082","0.0007","103.533","0.002","91.262","0.001","93.551","0.001","1790.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Y -","- C36 H25 I3 N3 O7 Y -","- C72 H50 I6 N6 O14 Y2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0557","0.0597","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227577","11.1901","0.0006","12.8834","0.0006","14.507","0.0007","69.119","0.002","88.699","0.001","72.84","0.001","1859.1","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0397","0.0351","","","0.0939","0.0984","","","","","","1.033","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227578","11.1784","0.0004","12.8338","0.0005","14.4641","0.0006","68.995","0.002","88.543","0.001","72.722","0.001","1842.08","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0515","0.0408","","","0.1105","0.1182","","","","","","1.028","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227579","9.9154","0.0005","10.4003","0.0005","15.0369","0.0008","85.103","0.001","74.836","0.001","74.496","0.001","1442","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0478","0.0341","","","0.0638","0.0697","","","","","","1.025","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227580","10.0352","0.0004","10.3574","0.0004","15.0822","0.0006","84.858","0.0009","74.15","0.001","75.009","0.0011","1456.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","","0.71073","MoKα","","0.0589","0.04","","","0.079","0.0858","","","","","","1.021","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227581","8.683","0.0013","13.052","0.0019","15.223","0.002","102.793","0.002","93.301","0.002","92.394","0.002","1677","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Yb -","- C36 H25 Br3 N3 O7 Yb -","- C72 H50 Br6 N6 O14 Yb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0289","0.0229","","","0.0508","0.0527","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227582","8.7587","0.0003","13.2478","0.0005","15.3694","0.0006","103.332","0.001","92.802","0.001","92.495","0.0011","1730.47","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tb -","- C36 H25 Br3 N3 O7 Tb -","- C72 H50 Br6 N6 O14 Tb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.048","0.0323","","","0.0646","0.0694","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227583","8.7712","0.0002","13.1735","0.0004","15.3367","0.0004","103.2","0.011","92.67","0.01","92.75","0.01","1720.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tm -","- C36 H25 Br3 N3 O7 Tm -","- C72 H50 Br6 N6 O14 Tm2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0337","0.026","","","0.0633","0.068","","","","","","0.83","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227584","9.9679","0.0004","10.3797","0.0004","15.0584","0.0005","84.989","0.001","74.48","0.001","74.774","0.001","1448.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0509","0.0369","","","0.0728","0.0776","","","","","","1.045","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227585","8.7754","0.0007","13.2024","0.0011","15.3521","0.0013","103.207","0.001","92.728","0.0009","92.688","0.001","1726.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Er N3 O7 -","- C36 H25 Br3 Er N3 O7 -","- C72 H50 Br6 Er2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.06","0.0411","","","0.0934","0.1017","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227586","8.7376","0.0015","13.163","0.002","15.296","0.003","103.274","0.002","92.763","0.002","92.604","0.002","1707.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Ho N3 O7 -","- C36 H25 Br3 Ho N3 O7 -","- C72 H50 Br6 Ho2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0506","","","0.1016","0.1201","","","","","","0.919","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227587","10.974","0.002","12.601","0.002","14.083","0.003","69.087","0.003","88.723","0.003","74.262","0.003","1744.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0621","0.0387","","","0.0769","0.0859","","","","","","0.937","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227588","8.7618","0.0006","13.223","0.0009","15.3537","0.0011","103.268","0.001","92.804","0.0008","92.564","0.001","1726.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Dy N3 O7 -","- C36 H25 Br3 Dy N3 O7 -","- C72 H50 Br6 Dy2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0874","0.0441","","","0.0737","0.0858","","","","","","0.981","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227589","8.7767","0.0004","13.1502","0.0006","15.3202","0.0007","103.146","0.001","92.657","0.001","92.845","0.0011","1716.7","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Lu N3 O7 -","- C36 H25 Br3 Lu N3 O7 -","- C72 H50 Br6 Lu2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0637","0.0389","","","0.0755","0.0848","","","","","","0.949","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227590","13.8199","0.001","25.3181","0.0018","9.9662","0.0007","90","","91.308","0.001","90","","3486.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 Nd2 O14 -","- C72 H50 Br6 N6 Nd2 O14 -","- C144 H100 Br12 N12 Nd4 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0517","0.0321","","","0.062","0.0677","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227591","13.8325","0.0005","25.4757","0.0008","10.2555","0.0003","90","","91.931","0.001","90","","3611.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C144 H100 Br12 N12 O28 Pr4 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0747","0.0422","","","0.0958","0.109","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227592","10.9343","0.0015","12.5436","0.0017","14.0627","0.0019","68.83","0.002","88.536","0.003","74.185","0.002","1724.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0797","0.0486","","","0.0954","0.1061","","","","","","0.982","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227593","25.3124","0.0012","29.7294","0.0014","9.5415","0.0004","90","","90","","90","","7180.2","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C288 H200 Br24 La8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0687","0.0349","","","0.0716","0.0829","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227594","13.809","0.0005","25.6321","0.0009","10.2526","0.0004","90","","92.434","0.001","90","","3625.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C144 H100 Br12 La4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0457","","","0.0995","0.1185","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227595","10.9414","0.0016","12.5871","0.0019","14.092","0.002","68.974","0.003","88.679","0.004","74.21","0.002","1737.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0675","0.0415","","","0.0875","0.0951","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227596","13.8159","0.0004","25.5564","0.0006","10.2526","0.0003","90","","92.18","0.01","90","","3617.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 Ce2 N6 O14 -","- C72 H50 Br6 Ce2 N6 O14 -","- C144 H100 Br12 Ce4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0707","0.0411","","","0.0983","0.1105","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227597","25.242","0.005","29.691","0.006","9.5673","0.0018","90","","90","","90","","7170","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H46 Br6 Ce2 N6 O14 -","- C72 H46 Br6 Ce2 N6 O14 -","- C288 H184 Br24 Ce8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0968","0.0416","","","0.0876","0.1052","","","","","","1.005","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227598","8.778","0.003","13.221","0.004","15.363","0.005","103.208","0.005","92.772","0.006","92.673","0.005","1730.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Y -","- C36 H25 Br3 N3 O7 Y -","- C72 H50 Br6 N6 O14 Y2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0789","0.0406","","","0.0823","0.0946","","","","","","0.963","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227599","8.7578","0.0007","13.2715","0.0011","15.3805","0.0012","103.408","0.0009","92.838","0.001","92.302","0.001","1734.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Gd N3 O7 -","- C36 H25 Br3 Gd N3 O7 -","- C72 H50 Br6 Gd2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0555","0.0368","","","0.0796","0.0873","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227600","25.0965","0.0017","29.647","0.002","9.605","0.0007","90","","90","","90","","7146.5","0.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H47 Br6 N6 Nd2 O14 -","- C72 H47 Br6 N6 Nd2 O14 -","- C288 H188 Br24 N24 Nd8 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0562","0.0364","","","0.0785","0.0858","","","","","","1.118","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227601","25.1741","0.0016","29.6104","0.0019","9.5656","0.0006","90","","90","","90","","7130.3","0.8","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C288 H200 Br24 N24 O56 Pr8 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0651","0.0454","","","0.1125","0.1223","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227602","10.962","0.003","12.556","0.003","14.059","0.004","68.944","0.004","88.62","0.006","74.244","0.005","1732.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.104","0.0543","","","0.0986","0.1187","","","","","","0.968","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227611","4.587","0.003","9.666","0.004","19.148","0.005","90","","91.76","0.02","90","","848.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1164","0.1272","","","","","","1.168","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227612","4.58","0.002","9.633","0.003","19.017","0.005","90","","91.18","0.02","90","","838.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.0777","0.046","","","0.0981","0.1099","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227624","8.0895","0.0016","11.829","0.002","18.063","0.004","86.63","0.03","77.32","0.03","77.33","0.03","1645.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N6 O16 P4 Zn3 -","- C22 H25 N6 O16 P4 Zn3 -","- C44 H50 N12 O32 P8 Zn6 -","2","1","","Li, Jin-Hua; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Wang, Guo-Ming; Wang, Zong-Hua; Bao, Zhen-Zhen","Template synthesis and photochromism of a layered zinc diphosphonate","CrystEngComm","2017","19","8","1160","","10.1039/C7CE00212B","","","0.71073","MoKα","","0.056","0.0389","","","0.0749","0.0802","","","","","","1.052","","","","has coordinates","193754","2020-10-21","18:00:00",""
"7227646","16.028","0.005","12.352","0.004","17.52","0.005","90","","104.455","0.019","90","","3358.8","1.8","108","2","108","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bis(trifluormethyl)dimethylfluoranthen","","- C22 H16 F6 -","- C22 H16 F6 -","- C176 H128 F48 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0516","0.0352","","","0.0883","0.1009","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227647","11.817","0.003","21.237","0.004","8.258","0.0016","90","","97.474","0.002","90","","2054.8","0.8","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C96 H56 F48 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71075","MoKα","","","0.0504","","","","0.0599","","","","","","3.246","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227648","30.365","0.011","12.085","0.004","13.365","0.004","90","","90","","90","","4904","3","133","2","133","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C32 H16 F10 -","- C32 H16 F10 -","- C256 H128 F80 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0914","0.0663","","","0.1364","0.1477","","","","","","1.093","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227649","8.943","0.002","9.827","0.002","21.451","0.005","90","","97.064","0.005","90","","1870.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F9 -","- C23 H14 F9 -","- C92 H56 F36 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0538","0.0474","","","0.1089","0.1116","","","","","","1.218","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227650","12.017","0.002","7.1071","0.0014","35.635","0.007","90","","92.848","0.005","90","","3039.7","1","133","2","133","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0596","0.0462","","","0.1194","0.1313","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227651","12.479","0.002","11.3269","0.0019","29.181","0.005","90","","101.941","0.002","90","","4035.4","1.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C192 H112 F96 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71069","MoKα","","0.0585","0.0505","","","0.1387","0.1453","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227652","21.1643","0.0012","11.9365","0.0006","12.8317","0.0008","90","","106.535","0.002","90","","3107.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 -","- C21 H17 F3 -","- C168 H136 F24 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0929","0.0567","","","0.1301","0.146","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227653","7.8051","0.0009","13.136","0.0015","14.1342","0.0015","78.497","0.009","85.326","0.009","85.781","0.01","1412.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","1","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0953","0.0875","","","0.1825","0.1919","","","","","","0.935","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227654","10.988","0.003","3.9173","0.0009","31.538","0.009","90","","99.68","0.02","90","","1338.2","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F2 Hg N3 O -","- C11 H7 Cl2 F2 Hg N3 O -","- C44 H28 Cl8 F8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0965","0.0941","","","0.1497","0.1981","","","","","","0.968","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227655","6.7713","0.0012","12.7185","0.0015","33.489","0.004","90","","90","","90","","2884.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Br2 F2 Hg N3 O -","- C11 H7 Br2 F2 Hg N3 O -","- C88 H56 Br16 F16 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0998","0.0928","","","0.1944","0.1996","","","","","","1.032","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227656","7.4184","0.0004","10.1888","0.0006","18.148","0.0013","90","","91.187","0.004","90","","1371.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O Zn -","- C12 H10 Cl2 N4 O Zn -","- C48 H40 Cl8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0429","0.0384","","","0.0915","0.0934","","","","","","1.046","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7227657","29.767","0.0012","10.3466","0.0004","25.8735","0.001","90","","98.543","0.002","90","","7880.3","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H52 I6 N16 O8 Zn5 -","- C72 H52 I6 N16 O8 Zn5 -","- C288 H208 I24 N64 O32 Zn20 -","4","0.5","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.088","0.0538","","","0.1108","0.1243","","","","","","1.02","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227658","7.6877","0.0014","10.3625","0.0019","18.182","0.003","90","","91.183","0.002","90","","1448.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N4 O Zn -","- C12 H10 Br2 N4 O Zn -","- C48 H40 Br8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0474","0.0377","","","0.0884","0.0931","","","","","","1.078","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227659","9.1458","0.0006","11.706","0.0009","18.2478","0.0012","80.629","0.009","77.512","0.008","88.044","0.009","1881.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 N4 O Zn -","- C18 H14 Br2 N4 O Zn -","- C72 H56 Br8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0477","0.0287","","","0.0579","0.0608","","","","","","0.826","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227660","9.0285","0.0006","11.7143","0.0008","17.5898","0.0011","82.781","0.008","78.436","0.005","88.107","0.008","1808.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C72 H56 Cl8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0374","0.029","","","0.0742","0.0759","","","","","","0.949","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227661","9.2443","0.0018","10.2822","0.0013","14.4976","0.0016","82.264","0.01","86.277","0.013","88.43","0.013","1362.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N10 O9 -","- C24 H22 Cd N10 O9 -","- C48 H44 Cd2 N20 O18 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0883","0.0524","","","0.0708","0.0771","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227662","9.347","0.0014","11.475","0.0012","18.59","0.002","78.554","0.005","76.342","0.006","87.434","0.004","1899","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Cd N4 O -","- C18 H14 Br2 Cd N4 O -","- C72 H56 Br8 Cd4 N16 O4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0366","0.0284","","","0.0566","0.0597","","","","","","1.045","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227670","6.0657","0.0004","11.6494","0.001","14.2527","0.0012","104.148","0.007","102.007","0.006","92.918","0.006","949.69","0.14","296.9","0.6","296.9","0.6","","","","","","","","4","P -1","-P 1","2","","RJ-17","","- C23 H21 Cl N2 -","- C23 H21 Cl N2 -","- C46 H42 Cl2 N4 -","2","1","","Jamatia, Ramen; Gupta, Ajay; Dam, Binoyargha; Saha, Mithu; Pal, Amarta Kumar","Graphite oxide: a metal free highly efficient carbocatalyst for the synthesis of 1,5-benzodiazepines under room temperature and solvent free heating conditions","Green Chem.","2017","19","6","1576","","10.1039/C6GC03110B","","","0.7107","MoKα","","0.084562","0.056699","","","","0.138382","","","","","","1.04758","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227672","19.627","0.002","7.315","0.001","23.51","0.003","90","","114.567","0.008","90","","3069.8","0.7","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O9 -","- C30 H45 N3 O9 -","- C120 H180 N12 O36 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.202","0.0884","","","0.2088","0.2795","","","","","","0.969","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227673","24.6517","0.0013","4.7182","0.0003","25.6558","0.0012","90","","96.827","0.004","90","","2962.9","0.3","100","2","99.99","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H43 N3 O14 -","- C24 H43 N3 O14 -","- C96 H172 N12 O56 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0729","0.0547","","","0.1396","0.1547","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227674","15.5682","0.0006","15.5682","0.0006","6.8268","0.0003","90","","90","","120","","1432.93","0.1","100","2","99.99","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.166667","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0615","0.0533","","","0.1608","0.1674","","","","","","1.064","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227675","4.9042","0.0002","16.9098","0.0006","17.0515","0.0007","77.472","0.003","87.209","0.004","83.111","0.003","1370.05","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C42 H54 N6 O18 -","2","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0854","0.0581","","","0.1507","0.1651","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227676","8.0533","0.0008","25.607","0.003","45.045","0.005","90","","90","","90","","9289.2","1.8","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Co N2 -","- C15 H13 Co N2 -","- C480 H416 Co32 N64 -","32","4","","Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil","Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application.","Physical chemistry chemical physics : PCCP","2017","19","9","6768","6776","10.1039/c6cp08685c","","","0.71075","MoKα","","0.0686","0.051","","","0.1044","0.1138","","","","","","1.089","","","","has coordinates","193917","2020-10-21","18:00:00",""
"7227677","14.214","0.002","9.8017","0.0014","19.392","0.003","90","","95.548","0.004","90","","2689.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C104 H120 Cl8 N16 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.08","0.0499","","","0.1064","0.1149","","","","","","0.934","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227678","12.228","0.003","8.896","0.002","14.798","0.004","90","","113.166","0.006","90","","1479.9","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1389","0.0544","","","0.0865","0.1042","","","","","","0.765","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227679","12.072","0.004","7.01","0.002","17.035","0.005","90","","101.402","0.007","90","","1413.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N2 S -","- C13 H14 Cl2 N2 S -","- C52 H56 Cl8 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1","0.0537","","","0.1075","0.1259","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227680","8.729","0.003","9.683","0.003","10.503","0.004","64.578","0.005","78.685","0.006","63.892","0.006","719.9","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.108","0.0522","","","0.0852","0.0999","","","","","","0.824","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227685","24.6076","0.0013","9.1723","0.0003","19.6702","0.0014","90","","110.211","0.007","90","","4166.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl2 N5 O2 Zn -","- C16 H18 Br Cl2 N5 O2 Zn -","- C128 H144 Br8 Cl16 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0813","0.0436","","","0.0822","0.0979","","","","","","0.994","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227686","24.5875","0.0009","9.1372","0.0003","19.5598","0.0007","90","","109.513","0.002","90","","4141.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N5 O2 Zn -","- C16 H18 Cl3 N5 O2 Zn -","- C128 H144 Cl24 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0991","0.0423","","","0.0948","0.1127","","","","","","1.02","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227687","13.6983","0.0009","15.3878","0.0009","22.9945","0.0015","90","","96.396","0.002","90","","4816.8","0.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 N9 O15 Si Zn3 -","- C43 H36 N9 O15 Si Zn3 -","- C172 H144 N36 O60 Si4 Zn12 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0922","0.0476","","","0.1087","0.1311","","","","","","1.014","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227688","18.64","0.003","22.795","0.004","13.281","0.002","90","","130.484","0.003","90","","4292.1","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O5 Si0.5 -","- C14 H10 Cd O5 Si0.5 -","- C112 H80 Cd8 O40 Si4 -","8","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.03","0.0239","","","0.0514","0.0529","","","","","","0.948","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227689","13.9339","0.0005","21.224","0.0007","16.231","0.0006","90","","100.771","0.001","90","","4715.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Co3 N8 O16 Si -","- C40 H29 Co3 N8 O13 Si -","- C160 H116 Co12 N32 O52 Si4 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0616","0.0428","","","0.1047","0.1143","","","","","","1.08","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227690","9.108","0.0018","25.909","0.005","14.588","0.003","90","","96.69","0.03","90","","3419","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl Cu2 N5 O8 -","- C32 H39 Cl Cu2 N5 O8 -","- C128 H156 Cl4 Cu8 N20 O32 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.62998","synchrotron","","0.0809","0.0645","","","0.1752","0.1878","","","","","","0.969","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227691","9.2442","0.0004","26.9115","0.0013","13.167","0.0007","90","","90.408","0.002","90","","3275.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H32.5 Cl Cu N4 O10 -","- C30.5 H32.5 Cl Cu N4 O10 -","- C122 H130 Cl4 Cu4 N16 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1057","0.0628","","","0.137","0.1583","","","","","","1.026","","","","has coordinates,has disorder","195041","2020-10-21","18:00:00",""
"7227692","6.6863","0.0011","33.34","0.004","11.325","0.0019","90","","107.156","0.005","90","","2412.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl Cu N3 O10 -","- C20 H20 Cl Cu N3 O10 -","- C80 H80 Cl4 Cu4 N12 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1387","0.0632","","","0.1388","0.1696","","","","","","1.009","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227693","8.7638","0.0007","9.0088","0.0007","13.4894","0.0011","90.103","0.002","106.079","0.002","107.018","0.002","974.55","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0585","0.0438","","","0.1068","0.1143","","","","","","1.048","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227694","8.654","0.003","9.112","0.003","13.738","0.004","89.225","0.005","75.034","0.005","73.2","0.005","999.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1437","0.0783","","","0.1838","0.2199","","","","","","0.969","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227695","8.7754","0.001","9.0556","0.0011","13.2444","0.0016","91.068","0.002","105.733","0.002","108.766","0.002","952.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.06","0.0465","","","0.1149","0.1227","","","","","","1.036","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227696","8.7951","0.0013","9.1673","0.0013","13.4002","0.0018","92.358","0.012","104.633","0.012","109.317","0.011","977.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71069","MoKα","","0.0433","0.0314","","","0.0768","0.0811","","","","","","1.02","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227697","8.8205","0.0008","9.0902","0.0008","13.6352","0.0013","90.168","0.002","104.444","0.002","107.949","0.002","1003.4","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0805","0.0664","","","0.1705","0.1809","","","","","","1.046","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227698","8.8175","0.0012","9.1617","0.0012","13.8108","0.0018","90.54","0.002","103.988","0.002","109.55","0.001","1015.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.05","0.0373","","","0.0839","0.0911","","","","","","1.027","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227699","8.77","0.0012","9.211","0.0012","13.5822","0.0019","89.993","0.003","75.599","0.003","71.823","0.003","1006.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1001","0.0599","","","0.1526","0.1787","","","","","","1.059","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227700","8.7623","0.0009","9.125","0.001","13.4315","0.0014","90.012","0.002","106.064","0.002","107.409","0.002","980.68","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0603","0.041","","","0.1039","0.1132","","","","","","1.052","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227703","7.3859","0.0005","15.9445","0.0012","8.7003","0.0006","90","","90","","90","","1024.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B16 Gd7.5 O48 Sr12 Yb0.5 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","1","0.125","","Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin","A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4","CrystEngComm","2017","19","12","1620","","10.1039/C7CE00025A","","","0.71073","MoKα","","0.0476","0.0434","","","0.112","0.116","","","","","","1.096","","","","has coordinates,has disorder","195045","2020-10-21","18:00:00",""
"7227708","10.4147","0.0005","10.8221","0.0008","11.4326","0.0007","63.221","0.007","63.896","0.005","74.519","0.005","1029.22","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Xiong, Wenfang; Qi, Chaorong; Guo, Tianzuo; Zhang, Min; Chen, Kai; Jiang, Huanfeng","A copper-catalyzed oxidative coupling reaction of arylboronic acids, amines and carbon dioxide using molecular oxygen as the oxidant","Green Chem.","2017","19","7","1642","","10.1039/C6GC03465A","","x-ray","1.54184","CuKα","","0.0374","0.0353","","","0.091","0.0927","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227709","8.0644","0.0005","25.5256","0.0013","7.0058","0.0004","90","","108.253","0.002","90","","1369.57","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N4 -","- C18 H10 N4 -","- C72 H40 N16 -","4","1","","Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores","Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.","Physical chemistry chemical physics : PCCP","2017","19","9","6721","6730","10.1039/c6cp08078b","","","0.71073","MoKα","","0.0737","0.0537","","","0.1287","0.1385","","","","","","1.081","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227710","6.8946","0.0009","16.799","0.002","13.329","0.002","90","","93.493","0.006","90","","1540.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 N4 O -","- C19 H12 N4 O -","- C76 H48 N16 O4 -","4","1","","Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores","Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.","Physical chemistry chemical physics : PCCP","2017","19","9","6721","6730","10.1039/c6cp08078b","","","0.71073","MoKα","","0.1112","0.0538","","","0.1098","0.1288","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227711","26.744","0.004","26.744","0.004","4.997","0.0001","90","","90","","120","","3095.2","0.7","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 Br N O4.33 -","- C24 H20 Br N O4.3333 -","- C144 H120 Br6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1208","0.0691","","","0.1693","0.2006","","","","","","1.065","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227712","4.92","0.001","13.034","0.003","36.789","0.007","90","","90","","90","","2359.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F N O5 S -","- C26 H26 F N O5 S -","- C104 H104 F4 N4 O20 S4 -","4","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.8","Synchrotron","","0.1448","0.115","","","0.2979","0.3191","","","","","","1.081","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227713","13.168","0.003","4.839","0.001","17.4","0.004","90","","111.41","0.03","90","","1032.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O4 -","- C24 H20 Cl N O4 -","- C48 H40 Cl2 N2 O8 -","2","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1171","0.0665","","","0.1645","0.1977","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227714","26.878","0.004","26.878","0.004","4.999","0.001","90","","90","","120","","3127.6","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 I N O4.33 -","- C24 H20 I N O4.3333 -","- C144 H120 I6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1424","0.0733","","","0.1554","0.1896","","","","","","1.014","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227715","20.187","0.003","10.5943","0.0015","24.296","0.004","90","","90","","90","","5196.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H52 Mn3 N5 O20 -","- C56 H52 Mn3 N5 O20 -","- C224 H208 Mn12 N20 O80 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.043","0.0319","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227716","8.8593","0.0012","9.9579","0.0015","14.811","0.003","103.45","0.007","97.543","0.005","90.896","0.007","1258.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Mn N3 O8 -","- C26 H17 Mn N3 O8 -","- C52 H34 Mn2 N6 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0755","0.0665","","","0.1913","0.2003","","","","","","1.058","","","","has coordinates,has disorder","195044","2020-10-21","18:00:00",""
"7227717","10.7524","0.0005","14.4645","0.0005","15.5968","0.0005","90","","100.955","0.003","90","","2381.54","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Mn N3 O6 -","- C28 H19 Mn N3 O6 -","- C112 H76 Mn4 N12 O24 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0692","0.0494","","","0.1014","0.1201","","","","","","1.099","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227718","10.088","0.003","10.16","0.003","13.027","0.004","97.791","0.002","106.85","0.003","114.222","0.003","1114.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mn N2 O8 -","- C22 H21 Mn N2 O8 -","- C44 H42 Mn2 N4 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0363","0.0341","","","0.099","0.1004","","","","","","1.073","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227719","9.7818","0.0007","12.9471","0.0006","13.4939","0.0009","90","","105.008","0.004","90","","1650.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Mn N2 O5 -","- C21 H13 Mn N2 O5 -","- C84 H52 Mn4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0451","0.0369","","","0.0904","0.093","","","","","","1.059","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227720","7.7079","0.0001","7.7079","0.0001","9.4483","0.0003","90","","90","","120","","486.135","0.018","298","","298","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Cl Li N3 O3 -","- C3 H3 Cl Li N3 O3 -","- C9 H9 Cl3 Li3 N9 O9 -","3","0.166667","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.0725","15.8185","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227721","7.6807","0.0001","7.6807","0.0001","6.3662","0.0001","90","","90","","120","","325.246","0.008","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3 H3 Cl N3 Na O3 -","- C3 H3 Cl N3 Na O3 -","- C6 H6 Cl2 N6 Na2 O6 -","2","0.0833333","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.043","9.36586","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227724","31.687","0.002","10.9573","0.0005","27.1488","0.0015","90","","115.982","0.006","90","","8473.5","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H60 Co5 N12 O38 -","- C82 H58 Co5 N12 O38 -","- C328 H232 Co20 N48 O152 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1172","0.0644","","","0.1332","0.165","","","","","","0.987","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227725","13.6157","0.0013","19.5109","0.0019","8.7982","0.0009","90","","96.577","0.001","90","","2321.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8 -","- C24 H14 Co N4 O8 -","- C96 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0333","0.03","","","0.0797","0.0821","","","","","","1.035","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227726","17.4893","0.0016","12.6182","0.0011","24.895","0.0018","90","","90","","90","","5493.9","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 Co N6 O8.5 -","- C28 H20 Co N6 O8.5 -","- C224 H160 Co8 N48 O68 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1088","0.0608","","","0.1048","0.125","","","","","","1.05","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227727","14.129","0.003","11.967","0.002","17.318","0.004","90","","107.944","0.002","90","","2785.7","1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H18 Co N6 O9 -","- C26 H16 Co N6 O9 -","- C104 H64 Co4 N24 O36 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0925","0.067","","","0.2091","0.2321","","","","","","1.052","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227728","13.3233","0.0004","23.3778","0.0008","8.8535","0.0003","90","","93.832","0.003","90","","2751.43","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Co N5 O8 -","- C29 H18 Co N5 O8 -","- C116 H72 Co4 N20 O32 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0935","0.059","","","0.1272","0.147","","","","","","1.024","","","","has coordinates,has disorder","195027","2020-10-21","18:00:00",""
"7227732","13.51","0.005","14.382","0.005","18.388","0.007","90","","92.036","0.006","90","","3571","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cu5 Ho2 N10 O28 -","- C54 H74 Cu5 Ho2 N10 O28 -","- C108 H148 Cu10 Ho4 N20 O56 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d–4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0585","0.0379","","","0.0856","0.0964","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227733","9.5585","0.0019","14.859","0.003","14.869","0.003","63.43","0.03","71.39","0.03","84.76","0.03","1786.7","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d–4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0387","0.0333","","","0.0813","0.0833","","","","","","0.9553","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227734","12.835","0.003","16.082","0.003","18.97","0.004","90","","105.8","0.03","90","","3767.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Dy2 N6 O34 -","- C58 H96 Cu5 Dy2 N6 O34 -","- C116 H192 Cu10 Dy4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0672","0.0513","","","0.1114","0.124","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227735","9.5555","0.0019","14.872","0.003","14.873","0.003","63.49","0.03","84.78","0.03","71.57","0.03","1791.2","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.039","0.0335","","","0.0915","0.1049","","","","","","1.0134","","","","has coordinates,has disorder","195021","2020-10-21","18:00:00",""
"7227736","12.795","0.003","16.128","0.003","19.041","0.004","90","","105.99","0.03","90","","3777.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Tb2 -","- C58 H96 Cu5 N6 O34 Tb2 -","- C116 H192 Cu10 N12 O68 Tb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0683","0.0606","","","0.1606","0.1701","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227737","12.8616","0.0003","16.2208","0.0004","18.8147","0.0005","90","","104.605","0.003","90","","3798.39","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Cu5 N6 O30 Tm2 -","- C50 H74 Cu5 N6 O30 Tm2 -","- C100 H148 Cu10 N12 O60 Tm4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d–4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.081","0.0465","","","0.1125","0.129","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227738","12.813","0.003","16.135","0.003","19.072","0.004","90","","105.84","0.03","90","","3793.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Gd2 N6 O34 -","- C58 H96 Cu5 Gd2 N6 O34 -","- C116 H192 Cu10 Gd4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0563","0.0416","","","0.0903","0.1001","","","","","","1.041","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227739","12.964","0.005","16.269","0.006","19.079","0.007","90","","105.362","0.006","90","","3880","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Yb2 -","- C58 H96 Cu5 N6 O34 Yb2 -","- C116 H192 Cu10 N12 O68 Yb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.053","0.0364","","","0.0873","0.1023","","","","","","1.153","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227740","10.0009","0.0005","10.7218","0.0005","21.5824","0.0011","81.629","0.003","81.306","0.003","73.137","0.003","2176.58","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H64 N4 O6 -","- C44 H64 N4 O6 -","- C88 H128 N8 O12 -","2","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1297","0.0704","","","0.2011","0.2377","","","","","","1.037","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227741","18.536","0.0013","33.68","0.003","16.0933","0.0011","90","","113.747","0.004","90","","9196.3","1.2","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C88 H90 O17 -","- C88 H90 O17 -","- C352 H360 O68 -","4","0.5","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2162","0.1648","","","0.4357","0.4633","","","","","","1.481","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227742","17.286","0.003","18.154","0.003","18.412","0.003","114.488","0.009","93.801","0.009","116.859","0.009","4456.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 O6 S2 -","- C32 H36 O6 S2 -","- C192 H216 O36 S12 -","6","3","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2972","0.1415","","","0.3582","0.4586","","","","","","1.114","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227743","47.845","0.009","10.2532","0.0012","19.755","0.004","90","","102.025","0.011","90","","9478","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H70 N4 O7 S -","- C46 H70 N4 O7 S -","- C368 H560 N32 O56 S8 -","8","2","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1799","0.0795","","","0.1958","0.2472","","","","","","0.961","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227744","11.0733","0.0007","6.1594","0.0003","15.85","0.0012","90","","110.183","0.002","90","","1014.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-2Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0456","0.0355","","","0.1034","0.1258","","","","","","1.157","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227745","20.407","0.004","7.2998","0.0014","6.2","0.0011","90","","97.773","0.006","90","","915.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(5-phenylfuran-2-yl)benzene","","- C26 H18 O2 -","- C26 H18 O2 -","- C52 H36 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0863","0.0567","","","0.1454","0.1719","","","","","","1.189","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227746","13.2404","0.0006","5.4901","0.0002","15.3541","0.0007","90","","90.015","0.002","90","","1116.11","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5,3',5'-4Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0662","0.0494","","","0.1383","0.1815","","","","","","1.233","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227747","39.169","0.008","7.5511","0.0015","16.702","0.003","90","","95.27","0.03","90","","4919.1","1.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","2,5-Bis(17alpha-ethynyl-5delta-androst-2-en-17beta-ol)-4-nitroaniline","","- C48 H62 N2 O4 -","- C48 H62 N2 O4 -","- C192 H248 N8 O16 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.1544","0.0873","","","0.2242","0.2703","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227748","11.8249","0.0002","13.9462","0.0003","26.1937","0.0005","90","","90","","90","","4319.67","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","2,5-Bis(17alpha-ethynyl-estra-1,3,5-(10)-trien-17beta-ol-3-methyl ether)-4-nitroaniline","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.0843","0.0547","","","0.1386","0.1544","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227749","13.3831","0.0012","10.0721","0.0008","11.1876","0.0011","90","","90.401","0.009","90","","1508","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Hg N2 S2 -","- C10 H8 Br2 Hg N2 S2 -","- C40 H32 Br8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0866","0.0898","","","","","","1.028","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227750","12.9022","0.001","9.8132","0.0011","11.2707","0.0008","90","","93.389","0.007","90","","1424.5","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Hg N2 S2 -","- C10 H8 Cl2 Hg N2 S2 -","- C40 H32 Cl8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0205","0.0178","","","0.0357","0.0361","","","","","","0.883","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227751","13.9527","0.0011","10.2881","0.0008","10.9667","0.0009","90","","94.445","0.009","90","","1569.5","0.2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Hg I2 N2 S2 -","- C10 H8 Hg I2 N2 S2 -","- C40 H32 Hg4 I8 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0197","0.0177","","","0.0409","0.0414","","","","","","1.035","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227752","9.7948","0.0005","10.1059","0.0005","22.8628","0.0011","90","","101.365","0.001","90","","2218.71","0.19","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0479","0.0412","","","0.1074","0.1115","","","","","","1.07","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227753","9.8352","0.0005","10.4074","0.0005","22.6698","0.0011","90","","101.884","0.001","90","","2270.72","0.19","350.15","","350.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0598","0.0449","","","0.114","0.1239","","","","","","1.071","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227754","9.7701","0.0013","10.0137","0.0013","22.834","0.003","90","","101.106","0.004","90","","2192.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0694","0.0598","","","0.1527","0.1603","","","","","","1.058","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227755","9.8143","0.0004","10.2937","0.0004","22.7516","0.0008","90","","101.785","0.001","90","","2250.04","0.15","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0519","0.0436","","","0.1134","0.1184","","","","","","1.044","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227756","9.808","0.0003","10.2049","0.0004","22.817","0.0008","90","","101.631","0.001","90","","2236.85","0.14","250.15","","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)–Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0431","0.0372","","","0.097","0.101","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227757","10.8035","0.0006","11.0281","0.0006","16.5111","0.0008","83.101","0.004","78.246","0.004","86.292","0.004","1910.34","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C52 H40 Cl4 N4 O38 Pb8 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0639","0.0434","","","0.0682","0.076","","","","","","1.001","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227758","33.4445","0.0016","10.358","0.0005","7.975","0.0003","90","","101.332","0.004","90","","2708.8","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl N O5 Pb S -","- C11 H9 Cl N O5 Pb S -","- C88 H72 Cl8 N8 O40 Pb8 S8 -","8","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0768","0.0621","","","0.1739","0.1876","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227759","7.1884","0.0005","10.6571","0.0007","12.4644","0.0008","92.225","0.005","91.08","0.006","109.457","0.006","899.14","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 O9 Pb2 S2 -","- C12 H8 Cl2 O9 Pb2 S2 -","- C24 H16 Cl4 O18 Pb4 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0567","0.04","","","0.0724","0.0783","","","","","","1.003","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227760","7.5895","0.0004","13.3371","0.0006","16.5241","0.0006","90","","92.337","0.004","90","","1671.21","0.13","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C64 H44 Cl4 N8 O16 Pb4 S4 -","2","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0615","0.0436","","","0.0873","0.0964","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227761","7.712","0.0003","9.8706","0.0005","17.3297","0.0008","90","","95.495","0.004","90","","1313.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl O10 Pb S2 -","- C6 H9 Cl O10 Pb S2 -","- C24 H36 Cl4 O40 Pb4 S8 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0624","0.0465","","","0.0947","0.1032","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227762","9.9814","0.0005","14.3511","0.0008","14.5242","0.0008","70.188","0.005","83.453","0.005","87.315","0.005","1944.52","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C48 H52 Cl4 N4 O42 Pb6 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0731","0.0485","","","0.0984","0.11","","","","","","1.025","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227763","9.3621","0.0006","9.7551","0.0005","10.9477","0.0008","80.577","0.005","69.059","0.006","88.515","0.005","920.62","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","1","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0518","0.0393","","","0.0616","0.0662","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227764","8.5537","0.001","9.2608","0.0015","13.8202","0.0014","99.041","0.011","102.3","0.009","108.323","0.012","985.3","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Cl N2 O9 Pb S2 -","- C16 H15 Cl N2 O9 Pb S2 -","- C32 H30 Cl2 N4 O18 Pb2 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0702","0.0555","","","0.1197","0.1302","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227776","31.3469","0.0011","31.3469","0.0011","31.3469","0.0011","90","","90","","90","","30802.3","1.9","295","","295","","","","160000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.0794","0.0745","","","0.1998","0.2092","","","","","","1.13","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227777","31.3031","0.0011","31.3031","0.0011","31.3031","0.0011","90","","90","","90","","30673.4","1.9","295","","295","","","","250000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1071","0.0955","","","0.2583","0.2807","","","","","","1.189","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227778","31.2695","0.0018","31.2695","0.0018","31.2695","0.0018","90","","90","","90","","30575","3","295","","295","","","","330000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1019","0.0814","","","0.2122","0.2317","","","","","","1.035","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227779","31.238","0.002","31.238","0.002","31.238","0.002","90","","90","","90","","30482","3","295","","295","","","","410000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1248","0.0922","","","0.2328","0.2494","","","","","","0.96","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227780","31.223","0.003","31.223","0.003","31.223","0.003","90","","90","","90","","30439","5","295","","295","","","","490000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.2266","0.067","","","0.1871","0.2693","","","","","","0.94","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227781","31.179","0.011","31.179","0.011","31.179","0.011","90","","90","","90","","30310","19","295","","295","","","","570000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0699","0.064","","","0.1342","0.1406","","","","","","0.944","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227782","30.988","0.003","30.988","0.003","30.988","0.003","90","","90","","90","","29756","5","295","","295","","","","860000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0863","0.0863","","","0.2187","0.2187","","","","","","1.126","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227783","30.968","0.006","30.968","0.006","30.968","0.006","90","","90","","90","","29699","10","295","","295","","","","990000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0869","0.0865","","","0.2315","0.2326","","","","","","1.174","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227784","30.898","0.003","30.898","0.003","30.898","0.003","90","","90","","90","","29498","5","295","","295","","","","1360000","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0924","0.0907","","","0.2341","0.235","","","","","","1.283","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227785","43.6764","0.0014","43.6764","0.0014","28.1864","0.0009","90","","90","","120","","46565","3","295","","295","","","","","","","","","4","R 3 2","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1379","0.1354","","","0.3715","0.3798","","","","","","1.946","","","","has coordinates","195186","2020-10-21","18:00:00",""
"7227786","43.367","0.006","43.367","0.006","28.09","0.005","90","","90","","120","","45751","12","194.98","0.1","194.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.1291","0.1122","","","0.2798","0.2938","","","","","","1.283","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227787","43.643","0.013","43.643","0.013","28.059","0.013","90","","90","","120","","46284","3","219.98","0.1","219.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0949","0.074","","","0.1509","0.1618","","","","","","1.181","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227788","43.26","0.016","43.26","0.016","28.104","0.016","90","","90","","120","","45548","4","244.98","0.1","244.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.1079","0.0812","","","0.1846","0.2034","","","","","","0.995","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227789","31.2093","0.0016","31.2093","0.0016","31.2093","0.0016","90","","90","","90","","30398","3","269.99","0.1","269.99","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0652","0.0594","","","0.1473","0.1534","","","","","","1.086","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227790","31.2093","0.0007","31.2093","0.0007","31.2093","0.0007","90","","90","","90","","30398.5","1.2","295.01","0.1","295.01","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C576 H960 K24 O504 -","12","0.25","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0522","0.0485","","","0.1296","0.1326","","","","","","1.092","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227791","10.0478","0.0003","10.3511","0.0003","14.6556","0.0005","90","","90","","90","","1524.27","0.08","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O S -","- C8 H7 N O S -","- C64 H56 N8 O8 S8 -","8","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0346","0.0298","","","0.0794","0.0831","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227792","6.9208","0.0003","7.5423","0.0004","8.8756","0.0005","85.0711","0.0017","82.0272","0.0016","89.0243","0.0017","457.11","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N S2 -","- C8 H6 Br N S2 -","- C16 H12 Br2 N2 S4 -","2","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0257","0.0241","","","0.0682","0.0688","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227793","7.025","0.0003","8.6002","0.0004","13.5237","0.0006","90","","100.788","0.0017","90","","802.61","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N S2 -","- C8 H7 N S2 -","- C32 H28 N4 S8 -","4","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.039","0.0337","","","0.0807","0.0831","","","","","","1.102","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227794","7.3765","0.0002","18.9914","0.0007","7.7127","0.0003","90","","118.059","0.0013","90","","953.48","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 I N S2 -","- C8 H6 I N S2 -","- C32 H24 I4 N4 S8 -","4","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0267","0.0208","","","0.0452","0.0468","","","","","","1.115","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227795","9.4916","0.0003","22.4131","0.0007","10.1084","0.0003","90","","102.5","0.001","90","","2099.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Tb2 -","- C14 H11 N3 O17 Tb2 -","- C56 H44 N12 O68 Tb8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0247","0.0195","","","0.0424","0.0441","","","","","","1.048","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227796","9.428","0.0019","22.415","0.005","10.051","0.002","90","","102.12","0.03","90","","2076.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Dy2 N3 O17 -","- C14 H15 Dy2 N3 O17 -","- C56 H60 Dy8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0248","0.023","","","0.0516","0.0525","","","","","","1.038","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227797","9.574","0.0019","22.547","0.005","10.122","0.002","90","","102.04","0.03","90","","2136.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Eu2 N3 O17 -","- C14 H15 Eu2 N3 O17 -","- C56 H60 Eu8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0331","0.0293","","","0.0736","0.0754","","","","","","1.014","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227798","9.59","0.0019","22.621","0.005","10.129","0.002","90","","101.61","0.03","90","","2152.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.75 N3 O17 Sm2 -","- C14 H11 N3 O16.87 Sm2 -","- C56 H44 N12 O67.48 Sm8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.025","0.0243","","","0.0563","0.0568","","","","","","1.042","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227799","9.5261","0.0007","22.4729","0.0016","10.1216","0.0007","90","","102.263","0.002","90","","2117.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Gd2 N3 O17 -","- C14 H15 Gd2 N3 O17 -","- C56 H60 Gd8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.031","0.022","","","0.0401","0.0427","","","","","","1.039","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227800","7.1614","0.0008","19.471","0.002","8.7123","0.0009","90","","92.426","0.002","90","","1213.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 La N3 O7 -","- C11 H5 La N3 O7 -","- C44 H20 La4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0261","","","0.0487","0.0497","","","","","","1.67","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227801","9.612","0.0019","22.868","0.005","10.159","0.002","90","","101.07","0.03","90","","2191.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Pr2 -","- C14 H15 N3 O17 Pr2 -","- C56 H60 N12 O68 Pr8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0206","0.0205","","","0.0554","0.0554","","","","","","1.15","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227802","9.594","0.0019","22.789","0.005","10.146","0.002","90","","101.32","0.03","90","","2175.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 Nd2 O17 -","- C14 H15 N3 Nd2 O17 -","- C56 H60 N12 Nd8 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.02","0.0187","","","0.0479","0.0486","","","","","","1.041","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227803","7.086","0.0014","19.48","0.004","8.677","0.0017","90","","92.55","0.03","90","","1196.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Ce N3 O7 -","- C11 H7 Ce N3 O7 -","- C44 H28 Ce4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.7","synchrotron","","0.0303","0.028","","","0.076","0.078","","","","","","1.053","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227804","9.4056","0.0006","22.3152","0.0015","10.082","0.0007","90","","102.96","0.002","90","","2062.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Er2 N3 O17 -","- C14 H11 Er2 N3 O17 -","- C56 H44 Er8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0238","","","0.0507","0.0537","","","","","","1.056","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227805","9.4299","0.0003","22.3272","0.0008","10.0874","0.0004","90","","102.817","0.001","90","","2070.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Ho2 N3 O17 -","- C14 H11 Ho2 N3 O17 -","- C56 H44 Ho8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0269","0.0209","","","0.0413","0.043","","","","","","1.057","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227806","7.5408","0.0003","11.7049","0.0005","15.9042","0.0006","90.095","0.002","102.741","0.002","106.596","0.002","1309.03","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N4 O20 Zr -","- C16 H32 N4 O20 Zr -","- C32 H64 N8 O40 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.035","0.0331","","0.0383","0.0356","0.0351","","","","","","1.1011","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227807","7.0194","0.0004","17.8877","0.001","13.4593","0.0008","90","","90.3052","0.0016","90","","1689.94","0.17","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H32 N8 O18 Zr -","- C28 H32 N8 O18 Zr -","- C56 H64 N16 O36 Zr2 -","2","0.5","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.02","0.0198","","0.0206","0.0202","0.0201","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227808","15.078","0.005","20.979","0.005","8.776","0.005","90","","98.917","0.005","90","","2742.5","1.9","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O20 Zr -","- C20 H28 N4 O20 Zr -","- C80 H112 N16 O80 Zr4 -","4","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0842","0.0397","","0.0624","0.0315","0.0295","","","","","","1.1223","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227809","10.077","0.009","10.81","0.01","11.116","0.011","78.14","0.03","89.23","0.05","86.71","0.03","1183.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 N8 O18 S2 Zr -","- C10 H20 N8 O18 S2 Zr -","- C20 H40 N16 O36 S4 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0566","0.0488","","0.0469","0.0409","0.0402","","","","","","0.8618","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227812","6.7868","0.0014","20.823","0.004","7.4953","0.0015","90","","90","","90","","1059.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H14 Cd Cl3 N -","- C6 H14 Cd Cl3 N -","- C24 H56 Cd4 Cl12 N4 -","4","1","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.0536","0.0476","","","0.0909","0.0932","","","","","","1.056","","","","has coordinates","195036","2020-10-21","18:00:00",""
"7227813","6.779","0.006","7.648","0.006","20.8582","0.0017","90","","90","","90","","1081.4","1.3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cd2 Cl6 N2 -","- C12 H28 Cd2 Cl6 N2 -","- C24 H56 Cd4 Cl12 N4 -","2","0.25","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.1718","0.1328","","","0.1772","0.1945","","","","","","1.319","","","","has coordinates,has disorder","195036","2020-10-21","18:00:00",""
"7227814","14.6554","0.0005","6.00711","0.00018","17.9996","0.0005","90","","90.1994","0.0014","90","","1584.61","0.08","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","","0.0762","","","","0.2408","","","","","","1.606","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227815","4.70709","0.00016","26.1213","0.0012","12.1528","0.0005","90","","93.267","0.003","90","","1491.82","0.11","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","0.0667","0.0567","","","0.1651","0.1793","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227816","9.3812","0.0002","12.9376","0.0003","18.1801","0.0004","90","","90","","90","","2206.52","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H19 Cu2 N9 O9 -","- C15 H19 Cu2 N9 O9 -","- C60 H76 Cu8 N36 O36 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.1005","0.0718","","","0.2031","0.2334","","","","","","1.16","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227817","7.1767","0.0003","7.3661","0.0004","12.3418","0.0007","90","","90","","90","","652.44","0.06","150","2","150","2","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C H7 Cu N3 O5 -","- C H7 Cu N3 O5 -","- C4 H28 Cu4 N12 O20 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0734","0.0496","","","0.1366","0.1872","","","","","","1.205","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227818","7.4087","0.0006","7.8568","0.0007","12.3745","0.001","90","","90","","90","","720.3","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H7 Cl Cu N2 O6 -","- C H7 Cl Cu N2 O6 -","- C4 H28 Cl4 Cu4 N8 O24 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0969","0.0534","","","0.1266","0.214","","","","","","1.177","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227819","12.5284","0.0006","6.3807","0.0002","20.8145","0.0008","90","","105.488","0.004","90","","1603.49","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N2 Na O5 -","- C12 H12 Cl2 N2 Na O5 -","- C48 H48 Cl8 N8 Na4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","0.0741","0.0676","","","0.1792","0.1884","","","","","","1.091","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227820","7.8772","0.0008","7.9735","0.0008","10.4011","0.0008","94.304","0.007","106.276","0.008","109.851","0.009","579.26","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0321","","","","0.0912","","","","","","1.079","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227821","6.108","0.0003","10.6399","0.0005","12.546","0.0007","109.248","0.004","92.148","0.004","90.445","0.004","769.05","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cs N2 O4 -","- C12 H10 Cl2 Cs N2 O4 -","- C24 H20 Cl4 Cs2 N4 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.047","0.0432","","","0.1111","0.1153","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227822","13.2615","0.0003","18.7662","0.0003","16.7948","0.0002","90","","90","","90","","4179.69","0.13","293","2","293","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C32 Cl8 Cs4 N8 O9 -","- C32 Cl8 Cs4 N8 O9 -","- C128 Cl32 Cs16 N32 O36 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0517","0.0506","","","0.1296","0.1314","","","","","","1.018","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227823","16.044","0.005","16.044","0.005","3.555","0.005","90","0.005","90","0.005","120","0.005","792.5","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 3 1 m","P 3 -2","157","","","","- C8 H2 Cl2 K N2 O3 -","- C8 H2 Cl2 K N2 O3 -","- C24 H6 Cl6 K3 N6 O9 -","3","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0624","0.0608","","","0.165","0.1671","","","","","","1.126","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7227824","7.975","0.0012","8.0294","0.0013","10.4361","0.0014","94.183","0.012","106.05","0.013","110.302","0.014","591.66","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0581","","","","0.1705","","","","","","1.068","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227825","20.039","0.003","17.152","0.003","14.09","0.003","90","","99.843","0.008","90","","4771.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Mo7 N8 O39 -","- C20 H28 Mo7 N8 O39 -","- C80 H112 Mo28 N32 O156 -","4","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.1319","0.0884","","","0.2303","0.2691","","","","","","1.112","","","","has coordinates,has disorder","196388","2020-10-21","18:00:00",""
"7227826","11.3855","0.0009","11.3943","0.0009","16.1815","0.0012","77.32","0.003","73.592","0.003","64.011","0.003","1798.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H42 Mo7 N3 O33.5 -","- C8 H18 Mo7 N3 O33.5 -","- C16 H36 Mo14 N6 O67 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0873","0.0793","","","0.2066","0.2117","","","","","","1.176","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227827","29.144","0.0011","29.144","0.0012","12.032","0.0004","90","","90","","120","","8850.5","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H46 Mo8 N2 O28 -","- C16 H46 Mo8 N2 O28 -","- C144 H414 Mo72 N18 O252 -","9","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0324","0.0246","","","0.0544","0.0578","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227828","8.8713","0.0012","10.8897","0.0015","21.328","0.003","98.581","0.005","95.318","0.005","99.992","0.005","1991.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 Mo7 N8 O30 -","- C12 H54 Mo7 N8 O30 -","- C24 H108 Mo14 N16 O60 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0204","0.0192","","","0.0475","0.0482","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227829","27.592","0.0009","20.794","0.0006","16.12","0.0005","90","","90","","90","","9248.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H53 Mo7 N6 O35.5 -","- C18 H26 Mo7 N6 O35.5 -","- C144 H208 Mo56 N48 O284 -","8","2","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.051","0.0434","","","0.1053","0.11","","","","","","1.055","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227830","28.887","0.002","12.1278","0.0009","21.5485","0.0016","90","","108.698","0.003","90","","7150.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H44 Mo7 N O37.5 -","- C4 H39 Mo7 N O37.5 -","- C32 H312 Mo56 N8 O300 -","8","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.041","0.0325","","","0.0856","0.0936","","","","","","0.959","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227831","10.2857","0.0002","22.5658","0.0004","7.71479","0.00014","90","","97.8249","0.0018","90","","1773.97","0.06","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (2S*,3R*)-3-(2-ethoxy-2-oxoethyl)-2-(o-tolyl)indoline-1-carboxylate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Pagire, Santosh K.; Reiser, Oliver","Tandem cyclisation of vinyl radicals: a sustainable approach to indolines utilizing visible-light photoredox catalysis","Green Chem.","2017","19","7","1721","","10.1039/C7GC00445A","","x-ray","1.54184","CuKα","","0.0487","0.0422","","","0.1101","0.1167","","","","","","1.034","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227838","6.036","0.0007","10.7787","0.0008","10.9735","0.001","90","","94.546","0.01","90","","711.69","0.12","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dinitro-1,3-pentadiene","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.047","0.0357","","","0.0953","0.0983","","","","","","0.955","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227839","8.3219","0.0007","5.2142","0.0004","12.3799","0.0013","90","","90.819","0.012","90","","537.13","0.08","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene 1,4-Dioxane (1/1) solvate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0383","0.0301","","","0.0827","0.086","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227840","5.4312","0.0008","6.1004","0.001","12.3902","0.0013","90","","101.006","0.005","90","","402.97","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dinitro-2,4-hexadiene","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C12 H16 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0783","0.0422","","","0.0991","0.1174","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227841","3.8306","0.0003","10.3433","0.0006","7.9532","0.0006","90","","102.516","0.006","90","","307.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene","","- C4 H4 N2 O4 -","- C4 H4 N2 O4 -","- C8 H8 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0585","0.0356","","","0.0881","0.1023","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227851","22.089","0.013","6.142","0.004","13.906","0.009","90","","125.968","0.009","90","","1526.9","1.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Co2 N6 O11 -","- C28 H26 Co2 N6 O11 -","- C56 H52 Co4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.0715","0.0606","","","0.1639","0.1796","","","","","","1.198","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227852","22.4588","0.0011","6.1786","0.0004","14.1282","0.0007","90","","127.551","0.004","90","","1554.29","0.17","293","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Mn2 N6 O11 -","- C28 H24 Mn2 N6 O11 -","- C56 H48 Mn4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.064","0.0624","","","0.1769","0.1806","","","","","","1.093","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227853","17.3616","0.0004","22.7205","0.0008","10.3693","0.0003","90","","106.01","0.0012","90","","3931.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H36 Cu N0 O5 -","- C39 H36 Cu O5 -","- C156 H144 Cu4 O20 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1028","0.0775","","","0.2255","0.2455","","","","","","1.029","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227854","13.2142","0.0005","13.8021","0.0005","15.108","0.0005","98.5544","0.0013","94.0136","0.0013","108.002","0.0012","2571.64","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C106 H112 Cu4 O20 -","- C106 H105 Cu4 O20 -","- C106 H105 Cu4 O20 -","1","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.0996","0.0732","","","0.2015","0.2233","","","","","","1.059","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227855","31.812","0.0009","31.812","0.0009","79.5235","0.0019","90","","90","","120","","69696","3","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C151 H132 Cs0 Cu4 N2 O20 -","- C151 H115 Cu4 N2 O20 -","- C2718 H2070 Cu72 N36 O360 -","18","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","1.5418","CuKα","","0.1495","0.1134","","","0.3136","0.3466","","","","","","1.224","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227856","18.4059","0.0007","18.7645","0.0009","34.5211","0.0014","90","","90","","90","","11922.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu4 N O20 -","- C81 H65 Cu4 N O20 -","- C324 H260 Cu16 N4 O80 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1036","0.0767","","","0.2268","0.2458","","","","","","1.045","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227857","7.622","0.001","19.178","0.002","10.846","0.0013","90","","96.04","0.002","90","","1576.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}","","- C24 H36 Mn2 N8 O16 -","- C24 H36 Mn2 N8 O16 -","- C48 H72 Mn4 N16 O32 -","2","0.5","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0546","0.041","","","0.1015","0.1111","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227858","26.181","0.006","7.86","0.0018","15.687","0.003","90","","117.124","0.007","90","","2873.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu-6-aminopyridine-3-carboxylato-kN:kO)cobalt(II)]hydrate}","","- C12 H12 Co N4 O5 -","- C12 H12 Co N4 O5 -","- C96 H96 Co8 N32 O40 -","8","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.143","0.0956","","","0.1918","0.21","","","","","","1.14","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227859","9.81","0.0008","14.1534","0.0011","14.2636","0.0011","73.12","0.03","74.15","0.03","86.86","0.03","1822.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[triaqua(6-aminopyridine-3-carboxylato-kO)bis(4,4'-bipyridine)cobalt(II)](6-aminopyridine-3-carboxylato)pentahydrate","","- C32 H42 Co N8 O12 -","- C32 H42 Co N8 O12 -","- C64 H84 Co2 N16 O24 -","2","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.1672","0.0803","","","0.1876","0.218","","","","","","1.045","","","","has coordinates,has disorder","196385","2020-10-21","18:00:00",""
"7227860","11.895","0.0005","7.3902","0.0002","18.7683","0.0005","90","","90","","90","","1649.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly{[triaqua(mu-6-aminopyridine-3-carboxylato-kN:kO)(6-aminopyridine-3-carboxylato-kO')cobalt(II)]dihydrate}","","- C12 H20 Co N4 O9 -","- C12 H20 Co N4 O9 -","- C48 H80 Co4 N16 O36 -","4","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0393","0.0334","","","0.069","0.0726","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227864","7.131","0.004","9.138","0.005","14.261","0.008","77.831","0.017","76.835","0.019","79.429","0.019","875.5","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Yb3 -","- C10 H13 O13 S2 Yb3 -","- C20 H26 O26 S4 Yb6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.0678","0.0569","","","0.1488","0.155","","","","","","1.066","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227865","7.373","0.006","9.398","0.008","14.426","0.011","77.28","0.03","76.81","0.03","78.97","0.03","938.8","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Gd3 O13 S2 -","- C10 H13 Gd3 O13 S2 -","- C20 H26 Gd6 O26 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1071","0.1041","","","0.2715","0.2745","","","","","","1.054","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227866","7.2126","0.0007","9.2072","0.001","14.3212","0.0002","77.79","0.03","76.84","0.03","79.26","0.03","895.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Er3 O13 S2 -","- C10 H13 Er3 O12.99 S2 -","- C20 H26 Er6 O25.98 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1277","0.1097","","","0.2693","0.289","","","","","","1.02","","","","has coordinates,has disorder","196386","2020-10-21","18:00:00",""
"7227867","7.235","0.004","9.252","0.004","14.315","0.007","77.672","0.018","76.786","0.015","79.175","0.019","901.6","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Y3 -","- C10 H13 O13 S2 Y3 -","- C20 H26 O26 S4 Y6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1002","0.0948","","","0.2354","0.2399","","","","","","1.047","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227876","9.6422","0.0003","9.6691","0.0004","10.1342","0.0004","66.683","0.002","71.511","0.001","67.162","0.001","784.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 Br N2 O -","- C17 H19 Br N2 O -","- C34 H38 Br2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0542","0.0386","","","0.0941","0.1007","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227877","18.632","0.006","8.288","0.002","14.009","0.005","90","","127.796","0.008","90","","1709.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(3-bromo-4-(dimethylamino)phenyl)methanone","bis(3-bromo-4-(dimethylamino)phenyl)methanone","","- C17 H18 Br2 N2 O -","- C17 H18 Br2 N2 O -","- C68 H72 Br8 N8 O4 -","4","0.5","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0382","0.0294","","","0.074","0.079","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227878","7.2012","0.0007","10.0238","0.001","10.6964","0.001","84.21","0.003","81.717","0.003","70.242","0.003","717.94","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","3,3?-Dibromo-4,4?-dimethoxybenzophenone","","- C15 H12 Br2 O3 -","- C15 H12 Br2 O3 -","- C30 H24 Br4 O6 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0268","0.0221","","","0.0585","0.0608","","","","","","0.993","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227879","11.8321","0.001","9.9164","0.0008","13.5148","0.001","90","","94.805","0.003","90","","1580.1","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-bromo-4-(dimethylamino)phenyl)(3-bromo-4-(methylamino)phenyl)methanone","","- C16 H16 Br2 N2 O -","- C16 H16 Br2 N2 O -","- C64 H64 Br8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0799","0.066","","","0.1791","0.2001","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227880","12.2967","0.0005","9.6212","0.0005","14.0625","0.0006","90","","96.74","0.002","90","","1652.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(dimethylamino)-3-iodophenyl)(3-iodo-4-(methylamino)phenyl)methanone","","- C16 H16 I2 N2 O -","- C16 H16 I2 N2 O -","- C64 H64 I8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0344","0.0241","","","0.0471","0.0504","","","","","","1.117","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227881","9.5382","0.0005","9.6556","0.0005","10.2314","0.0005","72.585","0.002","68.506","0.002","67.819","0.002","797.58","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C34 H38 I2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0507","0.0323","","","0.0638","0.0689","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227893","9.48269","0.00014","12.34678","0.00029","3.68977","0.000052","90","","90","","90.4227","0.0069","431.989","0.013","298","","298","","","","","","","","","5","P 1 1 2/m","-P 2","10","Dibromo(4-cyanopyridine)Nickel","Dibromo(4-cyanopyridine)Nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.628","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227894","26.69813","0.00038","7.29357","0.00011","3.735946","0.000042","90","","90","","90","","727.481","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Nickel","Dibromo-bis(4-cyanopyridine)Nickel","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01613","1.481","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227895","9.50494","0.00026","7.58104","0.00041","3.513186","0.000064","90","","90","","128.019","0.0032","199.433","0.015","298","","298","","","","","","","","","5","P 1 1 m","P -2","6","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro(4-cyanopyridine)Nickel","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","1","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01769","1.485","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227896","26.8461","0.0015","7.31908","0.00032","3.7708","0.00011","90","","90","","90","","740.92","0.06","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Cobalt","Dibromo-bis(4-cyanopyridine)Cobalt","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","0.00863","1.06","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227897","7.96092","0.00038","27.33624","0.00013","3.79473","0.00018","90","","97.4815","0.0016","90","","818.79","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.03203","2.091","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227898","26.4504","0.0007","7.16668","0.00019","3.58904","0.00007","90","","92.474","0.004","90","","679.71","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro-bis(4-cyanopyridine)Nickel","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C24 H16 Cl4 N8 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0085","1.366","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227899","13.83118","0.00025","7.93848","0.00014","3.79073","0.000043","96.1714","0.0015","94.9144","0.0014","96.8254","0.0011","408.824","0.011","298","","298","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C12 H8 Cl4 Cu2 N4 -","2","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01767","1.742","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227900","8.322","0.005","10.111","0.005","14.048","0.005","99.667","0.005","102.545","0.005","113.317","0.005","1016.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O8 -","- C21 H16 Cd N2 O8 -","- C42 H32 Cd2 N4 O16 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0838","0.0642","","","0.1858","0.2","","","","","","1.07","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227901","8.363","0.009","10.188","0.011","14.322","0.015","98.845","0.015","100.165","0.014","112.564","0.012","1076","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71073","MoKα","","0.064","0.0467","","","0.1106","0.1441","","","","","","1.148","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227902","8.418","0.005","10.214","0.005","11.382","0.005","75.111","0.005","83.956","0.005","78.582","0.005","925.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N O7 -","- C22 H16 Cd N O7 -","- C44 H32 Cd2 N2 O14 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0448","0.036","","","0.0843","0.0888","","","","","","1.053","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227903","9.904","0.005","11.945","0.005","13.078","0.005","69.194","0.005","75.412","0.005","70.291","0.005","1346.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0871","0.0466","","","0.0899","0.1021","","","","","","1.028","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227904","9.995","0.005","18.248","0.005","22.57","0.005","90","0.005","90","0.005","90","0.005","4117","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cd3 O26 -","- C32 H40 Cd3 O26 -","- C128 H160 Cd12 O104 -","4","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0511","0.0388","","","0.09","0.0972","","","","","","1.08","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227905","16.164","0.005","11.755","0.005","20.199","0.004","90","","120.402","0.017","90","","3310.2","1.9","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C62 H46 Cd3 N6 O16 -","- C62 H46 Cd3 N6 O16 -","- C124 H92 Cd6 N12 O32 -","2","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0961","0.0593","","","0.1531","0.1683","","","","","","1.007","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227906","15.0907","0.0009","15.2326","0.0009","18.8918","0.0011","80.9942","0.0009","83.7204","0.001","75.2446","0.0009","4136.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells–Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71","MoKα","","0.082","0.0757","","","0.1037","0.1251","","","","","","1.093","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7227907","22.034","0.013","22.034","0.013","34.773","0.016","90","","90","","120","","14620","14","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H144 As12 Cu36 Mo108 N216 O372 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","1","0.0277778","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells‒Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71073","MoKα","","0.0891","0.0717","","","0.1827","0.2128","","","","","","1.07","","","","has coordinates,has disorder","196376","2020-10-21","18:00:00",""
"7227908","13.3102","0.0019","17.025","0.002","14.896","0.002","90","","108.86","0.004","90","","3194.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","{D-Gln@TMeQ[6]}.Cl.11H2O","complex1","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1773","0.0989","","","0.2487","0.3059","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227909","13.4651","0.0009","16.34","0.0011","29.934","0.002","90","","100.665","0.002","90","","6472.3","0.8","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{TMeQ[6]?Cd(H2O)3D-Val?TMeQ[6]}.(NO3)2.21H2O","complex7","","- C85 H139 Cd N51 O53 -","- C85 H97 Cd N49 O45 -","- C170 H194 Cd2 N98 O90 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0523","0.0438","","","0.1082","0.1132","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227910","13.277","0.002","17.119","0.003","15.609","0.003","90","","112.981","0.002","90","","3266.2","1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Ser?TMeQ[6].Cl.10H2O","complex6","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O25 -","- C86 H104 N50 O50 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1404","0.0667","","","0.1728","0.1873","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227911","13.219","0.003","17.089","0.004","15.467","0.003","90","","112.608","0.007","90","","3225.5","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ser?TMeQ[6].Cl.10H2O","complex5","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O24.5 -","- C86 H104 N50 O49 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0901","0.0776","","","0.2151","0.2288","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227912","11.9992","0.0009","12.9523","0.0005","12.967","0.0005","117.184","0.001","105.147","0.002","93.662","0.002","1690.55","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(D-Met)@TMeQ[6]}.(NO3)2.10H2O","complex3","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0466","0.0456","","","0.1259","0.1284","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227913","13.2985","0.0015","17.0458","0.0019","14.9506","0.0017","90","","108.985","0.003","90","","3204.7","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{L-Gln@TMeQ[6]}.Cl.11H2O","complex2","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1557","0.0963","","","0.2409","0.2852","","","","","","1.006","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227914","12.0385","0.0011","12.9653","0.0006","12.9988","0.0006","117.301","0.002","93.649","0.002","105.198","0.002","1699.4","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(L-Met)@TMeQ[6]}.(NO3)2.10H2O","complex4","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O34 S -","- C45 H55 Cd N27 O34 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0953","0.0853","","","0.22","0.2464","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227915","25.5147","0.0015","13.4137","0.0008","14.6329","0.0009","90","","101.966","0.0009","90","","4899.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ce2 N6 O22 -","- C22 H18 Ce2 N2 O18 -","- C88 H72 Ce8 N8 O72 -","4","0.5","","Ma, Aiqing; Ke, Fei; Jiang, Jing; Yuan, Qiaoyu; Luo, Zhidong; Liu, Jianqiang; Kumar, Abhinav","Two lanthanide-based metal‒organic frameworks for highly efficient adsorption and removal of fluoride ions from water","CrystEngComm","2017","19","16","2172","","10.1039/C7CE00291B","","","0.71073","MoKα","","0.0806","0.0562","","","0.1506","0.1698","","","","","","1.039","","","","has coordinates","196384","2020-10-21","18:00:00",""
"7227918","4.0145","0.0003","26.7097","0.0018","11.7285","0.001","90","","94.126","0.007","90","","1254.34","0.17","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","0.71073","MoKα","","0.0573","0.0396","","","0.0754","0.0842","","","","","","1.014","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227919","21.986","0.002","3.9115","0.0004","30.02","0.002","90","","106.946","0.009","90","","2469.6","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0738","0.0575","","","0.1491","0.1688","","","","","","1.039","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227920","3.8841","0.0002","11.6062","0.0006","27.622","0.0012","90","","90","","90","","1245.19","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0454","0.0404","","","0.1083","0.1139","","","","","","1.077","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227922","4.8168","0.0006","10.4707","0.001","11.0951","0.0009","107.086","0.008","95.382","0.009","93.503","0.009","530.21","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C4 H6 O5 -","- C4 H6 O5 -","- C16 H24 O20 -","4","4","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0557","0.0519","","","0.1375","0.1425","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227923","25.7697","0.0014","5.2445","0.0002","9.6681","0.0006","90","","97.215","0.005","90","","1296.29","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10.85 H22.57 N2 O4 -","- C10.845 H22.57 N2 O4 -","- C43.38 H90.28 N8 O16 -","4","1","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0439","0.0428","","","0.1171","0.1182","","","","","","1.061","","","","has coordinates","195033","2020-10-21","18:00:00",""
"7228000","10.4069","0.0013","14.095","0.0017","15.263","0.002","86.244","0.003","85.165","0.003","85.393","0.004","2219.8","0.5","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H51 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0496","","","","0.1333","","","","","","1.067","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228001","10.929","0.002","13.658","0.003","16.296","0.003","71.368","0.009","74.864","0.01","69.076","0.009","2123.1","0.7","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H44 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0514","","","","0.1398","","","","","","1.063","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228002","8.279","0.0006","13.8112","0.0011","14.0825","0.0013","91.101","0.006","97.128","0.005","90.515","0.004","1597.4","0.2","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0716","","","","0.2091","","","","","","1.092","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228006","10.5112","0.0005","16.4981","0.0007","22.863","0.001","90","","90.391","0.001","90","","3964.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 17(H2O)","","","- C27 H50 Co Gd N9 O20.5 -","- C27 H50 Co Gd N9 O20.5 -","- C108 H200 Co4 Gd4 N36 O82 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0734","0.0483","","","0.1124","0.1206","","","","","","1","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228007","10.4992","0.0004","21.4101","0.0009","16.8664","0.0007","90","","95.879","0.001","90","","3771.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 13(H2O)","","","- C27 H46 Co Gd N9 O18.5 -","- C27 H46 Co Gd N9 O18.5 -","- C108 H184 Co4 Gd4 N36 O74 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0272","0.023","","","0.0478","0.049","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228008","10.6445","0.0006","10.6445","0.0006","36.732","0.003","90","","90","","120","","3604.3","0.4","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","[Gd(dipic)3] [Co(sar)(NO2)2] * 12(H2O)","","","- C35 H63 Co Gd N11 O28 -","- C35 H39 Co Gd N11 O28 -","- C105 H117 Co3 Gd3 N33 O84 -","3","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0828","0.0458","","","0.0718","0.0776","","","","","","1.001","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228009","32.494","0.002","10.6067","0.0006","22.729","0.001","90","","115.372","0.001","90","","7078","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2[La(dipic)3] 2(CoEn3) * 9(H2O)","","","- C54 H84 Co2 La2 N18 O33 -","- C54 H84 Co2 La2 N18 O33 -","- C216 H336 Co8 La8 N72 O132 -","4","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0594","0.0332","","","0.0738","0.0821","","","","","","1.004","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228010","15.191","0.001","10.5019","0.0009","22.891","0.002","90","","107.102","0.002","90","","3490.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[La(dipic)3] [CoEn3] * 4(H2O)","","","- C27 H41 Co La N9 O16 -","- C27 H41 Co La N9 O16 -","- C108 H164 Co4 La4 N36 O64 -","4","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)–polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0813","0.0443","","","0.0911","0.1022","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228011","10.6171","0.0005","21.464","0.001","16.9092","0.0009","90","","96.623","0.001","90","","3827.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[La(dipic)3] 2[CoEn3] * 13(H2O)","","","- C54 H92 Co2 La2 N18 O37 -","- C54 H90 Co2 La2 N18 O37 -","- C108 H180 Co4 La4 N36 O74 -","2","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0388","0.0299","","","0.0603","0.0628","","","","","","1","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228012","5.8787","0.0003","8.2985","0.0004","13.07","0.002","81.714","0.008","87.395","0.008","82.183","0.004","624.88","0.11","293","2","293","2","","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0716","0.0442","","","0.0868","0.1008","","","","","","1.095","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228013","6.3489","0.0004","8.8785","0.0005","13.387","0.003","81.965","0.01","85.674","0.01","84.251","0.005","742","0.18","293","2","293","2","","","330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1003","0.0526","","","0.1161","0.1425","","","","","","0.972","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228014","6.2278","0.0005","9.026","0.002","13.3215","0.0014","79.608","0.013","86.913","0.008","85.99","0.013","734.09","0.19","293","2","293","2","460000","","460000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.163","0.0772","","","0.1557","0.2054","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228015","5.7365","0.0003","8.0902","0.0004","12.894","0.002","82.422","0.008","88.028","0.008","82.178","0.004","587.58","0.1","293","2","293","2","","","6830000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0798","0.0502","","","0.1029","0.1185","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228016","5.8913","0.0003","8.5944","0.0015","12.8846","0.0015","80.681","0.012","85.494","0.007","85.723","0.009","640.51","0.14","293","2","293","2","3000000","","3000000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.116","0.066","","","0.1148","0.1407","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228017","5.7168","0.0004","8.3457","0.0014","12.6434","0.001","81.496","0.001","84.436","0.007","85.47","0.011","592.5","0.12","293","2","293","2","6100000","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.09","0.0539","","","0.1071","0.1256","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228018","5.7996","0.0003","8.1816","0.0004","12.978","0.003","82.064","0.009","87.702","0.009","82.134","0.004","604.03","0.15","293","2","293","2","","","5450000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0646","0.0412","","","0.0828","0.097","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228019","5.8202","0.0003","8.536","0.005","12.7885","0.0014","80.81","0.02","85.069","0.006","85.606","0.014","623.6","0.4","293","2","293","2","4030000","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1015","0.0573","","","0.1133","0.1356","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228020","5.7694","0.0003","8.1369","0.0004","12.941","0.003","82.207","0.009","87.842","0.009","82.147","0.004","596.15","0.15","293","2","293","2","","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0666","0.0437","","","0.0895","0.1034","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228021","5.9272","0.0003","8.3697","0.0004","13.124","0.002","81.58","0.008","87.185","0.008","82.254","0.004","637.89","0.11","293","2","293","2","","","3320000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0719","0.0416","","","0.0691","0.078","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228022","5.9669","0.0003","8.6945","0.0018","12.9785","0.0009","80.432","0.01","85.884","0.005","85.774","0.008","660.93","0.15","293","2","293","2","2130000","","2130000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1204","0.0664","","","0.1401","0.172","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228023","6.0542","0.0006","8.807","0.003","13.095","0.002","80.05","0.02","86.26","0.011","85.728","0.019","684.8","0.3","293","2","293","2","1330000","","1330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1434","0.075","","","0.1709","0.2213","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228024","6.0717","0.0003","8.5574","0.0005","13.251","0.002","81.402","0.009","86.675","0.009","82.667","0.005","674.66","0.12","293","2","293","2","","","1730000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0802","0.0465","","","0.0964","0.1153","","","","","","0.935","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228025","5.9122","0.0003","8.617","0.004","12.915","0.0017","80.61","0.019","85.576","0.007","85.688","0.012","645.9","0.3","293","2","293","2","2720000","","2720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1297","0.0727","","","0.1649","0.2127","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228026","5.7692","0.0002","8.421","0.002","12.7212","0.0011","81.231","0.012","84.74","0.005","85.557","0.009","606.96","0.16","293","2","293","2","5010000","","5010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0928","0.053","","","0.0904","0.1092","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228027","5.9953","0.0003","8.4598","0.0004","13.189","0.002","81.453","0.009","86.954","0.009","82.427","0.004","655.35","0.11","293","2","293","2","","","2500000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0748","0.042","","","0.0933","0.1144","","","","","","0.986","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228028","6.1901","0.0004","8.6946","0.0006","13.321","0.003","81.572","0.011","86.221","0.01","83.18","0.005","703.32","0.17","293","2","293","2","","","1010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0854","0.0486","","","0.1118","0.1353","","","","","","0.943","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228029","5.8398","0.0003","8.2425","0.0004","13.031","0.003","81.891","0.008","87.556","0.008","82.156","0.004","614.98","0.15","293","2","293","2","","","4720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0679","0.0433","","","0.095","0.1081","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228053","8.5054","0.0002","10.2435","0.0002","10.9144","0.0003","63.35","0.002","71.042","0.002","82.5615","0.0019","803.65","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Yb -","- C15 H15 N O8 Yb -","- C30 H30 N2 O16 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","","0.71073","MoKα","","0.0168","0.0162","","","0.0362","0.0365","","","","","","1.067","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228054","10.56825","0.00017","12.66272","0.00019","6.6229","0.00013","90","","95.2274","0.0017","90","","882.61","0.03","296","3","296","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 O6 Yb -","- C9 H5 O6 Yb -","- C36 H20 O24 Yb4 -","4","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","1.54184","CuKα","","0.0627","0.0561","","","0.1522","0.1554","","","","","","1.066","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228055","18.295","0.0004","10.8482","0.0002","17.3984","0.0004","90","","101.395","0.002","90","","3384.96","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N O7.5 Yb -","- C15 H14 N O7.5 Yb -","- C120 H112 N8 O60 Yb8 -","8","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0478","0.0358","","","0.1042","0.1155","","","","","","1.03","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228056","8.4515","0.0002","12.3972","0.0004","12.568","0.0003","110.453","0.002","102.132","0.002","109.619","0.003","1079.2","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O9 Yb -","- C21 H20 N O9 Yb -","- C42 H40 N2 O18 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0452","0.0403","","","0.1032","0.1065","","","","","","1.041","","","","has coordinates,has disorder","196373","2020-10-21","18:00:00",""
"7228063","11.86816","0.00016","11.86816","0.00016","11.6198","0.0002","90","","90","","90","","1636.69","0.04","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Cl2 N8 O4 -","- C31 H32 Cl2 N8 O4 -","- C62 H64 Cl4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0713","0.0706","","0.194","0.194","0.194","","","","","","1.0673","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228064","11.6729","0.0015","11.8954","0.0009","26.963","0.002","101.982","0.007","91.167","0.008","90.664","0.008","3661.1","0.6","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C30.5 H39 N12 O14 -","- C30.5 H39 N12 O14 -","- C122 H156 N48 O56 -","4","2","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1618","0.1386","","0.3474","0.3309","0.3474","","","","","","0.9703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228065","12.07173","0.00018","12.07173","0.00018","11.3545","0.0003","90","","90","","90","","1654.65","0.06","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Br2 N8 O4 -","- C31 H32 Br2 N8 O4 -","- C62 H64 Br4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0754","0.0735","","0.188","0.1877","0.188","","","","","","1.0299","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228066","13.3818","0.0003","7.1209","0.0001","21.9744","0.0004","90","","95.8782","0.0019","90","","2082.94","0.07","150","","150","","","","","","","","synthesized","4","P 1 2/n 1","-P 2yac","13","","","","- C29 H32 Br4 N8 -","- C29 H32 Br4 N8 -","- C58 H64 Br8 N16 -","2","0.5","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0417","0.0386","","0.1014","0.0974","0.1014","","","","","","0.9495","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228067","11.7352","0.0002","11.7352","0.0002","25.3812","0.0013","90","","90","","90","","3495.4","0.2","150","","150","","","","","","","","synthesized","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H32 Cl4 N8 -","- C29 H32 Cl4 N8 -","- C116 H128 Cl16 N32 -","4","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1458","0.144","","0.2419","0.2413","0.2419","","","","","","1.0381","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228203","13.946","0.003","14.296","0.003","26.749","0.005","81.29","0.03","77.99","0.03","81.78","0.03","5121.7","1.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C226 H212 B2 Cl4 Cu6 F8 N8 O8 P12 -","2","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0558","0.0386","","","0.1029","0.1147","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228204","19.431","0.004","20.455","0.004","25.426","0.005","90","","91.9","0.03","90","","10100","3","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C109 H98 Cu3 F N4 O3 P6 -","- C109 H98 Cu3 F N4 O3 P6 -","- C436 H392 Cu12 F4 N16 O12 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0916","0.0519","","","0.1371","0.1536","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228205","27.9483","0.0003","21.5782","0.0002","36.4721","0.0004","90","","90","","90","","21995.4","0.4","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C113 H104 Cu3 N5 O5 P6 -","- C113 H104 Cu3 N5 O5 P6 -","- C904 H832 Cu24 N40 O40 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","1.54178","CuKα","","0.0551","0.0464","","","0.1171","0.1247","","","","","","1.036","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228206","20.044","0.004","26.268","0.005","20.139","0.004","90","","96.56","0.03","90","","10534","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H86 Cu3 F7 N4 O2 P6 -","- C107 H86 Cu3 F7 N4 O2 P6 -","- C428 H344 Cu12 F28 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1597","0.0725","","","0.1813","0.2115","","","","","","1.015","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228207","17.551","0.004","30.505","0.006","19.142","0.004","90","","94.84","0.03","90","","10212","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H86 Cu3 F N6 O6 P6 -","- C105 H86 Cu3 F N6 O6 P6 -","- C420 H344 Cu12 F4 N24 O24 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0965","0.0514","","","0.1195","0.1453","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228208","47.4995","0.0014","15.3047","0.0004","29.9249","0.0009","90","","107.656","0.001","90","","20729.6","1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C856 H736 B4 Cu24 F24 N32 O32 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0944","0.0613","","","0.1719","0.1883","","","","","","1.061","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228209","13.861","0.003","33.095","0.007","22.888","0.005","90","","107.6","0.03","90","","10008","4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C452 H416 B4 Cu12 F16 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1188","0.0559","","","0.1238","0.1519","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228210","14.71","0.003","21.288","0.004","19.399","0.004","90","","110.49","0.03","90","","5690","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C113 H104 Cu3 F N4 O2 P6 -","- C114 H104 Cu3 F N4 O2 P6 -","- C228 H208 Cu6 F2 N8 O4 P12 -","2","0.5","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0843","0.0649","","","0.205","0.2199","","","","","","1.208","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228211","21.838","0.003","21.838","0.003","14.721","0.003","90","","90","","90","","7020","2","100","2","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H22 Cd N4 O9 -","- C30 H22 Cd N4 O9 -","- C240 H176 Cd8 N32 O72 -","8","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0239","0.0235","","","0.0622","0.0624","","","","","","1.105","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228212","9.166","0.0018","21.819","0.004","11.505","0.002","90","","96.39","0.03","90","","2286.6","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H36 Mn N6 O16 -","- C52 H36 Mn N6 O16 -","- C104 H72 Mn2 N12 O32 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0574","0.0481","","","0.1165","0.1219","","","","","","1.046","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228213","11.947","0.002","13.534","0.003","14.618","0.003","81.85","0.03","66.46","0.03","89.84","0.03","2141.2","0.9","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.11","0.09","","","0.2242","0.2444","","","","","","1.051","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228214","18.324","0.004","23.774","0.005","14.04","0.003","90","","90","","90","","6116","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C105 H95 Mn4 N15 O39 -","- C105 H95 Mn4 N15 O39 -","- C210 H190 Mn8 N30 O78 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0653","0.0581","","","0.1671","0.1768","","","","","","1.044","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228215","8.302","0.0017","14.375","0.003","17.195","0.003","66.8","0.03","88.82","0.03","78.25","0.03","1842.6","0.8","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0427","0.0419","","","0.1157","0.1165","","","","","","1.093","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228216","17.345","0.004","22.362","0.005","13.817","0.003","90","","90","","90","","5359","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.3 H42.3 N8 O17 Zn2 -","- C60.3 H42.3 N8 O17 Zn2 -","- C241.2 H169.2 N32 O68 Zn8 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0656","0.0617","","","0.175","0.1795","","","","","","1.041","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228217","18.674","0.004","23.894","0.005","14.086","0.003","90","","90","","90","","6285","2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H88 Cd4 N14 O38 -","- C102 H88 Cd4 N14 O38 -","- C204 H176 Cd8 N28 O76 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0499","0.0417","","","0.1112","0.1167","","","","","","1.035","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228218","16.984","0.002","16.984","0.002","21.78","0.004","90","","90","","90","","6282.6","1.6","100","","100","","","","","","","","","5","P 42","P 4c","77","","","","- C59 H55 Cd2 N9 O20 -","- C59 H55 Cd2 N9 O20 -","- C236 H220 Cd8 N36 O80 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.1415","0.0883","","","0.261","0.3085","","","","","","1.048","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228219","15.369","0.003","17.967","0.004","18.47","0.004","90","","107.96","0.03","90","","4852","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H48 Cd2 N12 O24 -","- C88 H48 Cd2 N12 O24 -","- C176 H96 Cd4 N24 O48 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0552","0.0488","","","0.1355","0.1402","","","","","","1.062","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228220","6.468","0.0013","7.7544","0.0016","8.6026","0.0017","97.267","0.017","109.253","0.018","96.531","0.017","398.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0572","0.0401","","","0.0809","0.0841","","","","","","0.941","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228221","6.2433","0.0004","8.0884","0.0006","8.6219","0.0007","71.541","0.007","79.573","0.006","85.986","0.006","406.13","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0475","0.0412","","","0.0935","0.0985","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228222","10.8252","0.001","7.7396","0.0003","15.366","0.0006","90","","95.439","0.005","90","","1281.61","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 Ni O10 S2 -","- C22 H30 N4 Ni O10 S2 -","- C44 H60 N8 Ni2 O20 S4 -","2","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.038","0.0323","","","0.0827","0.087","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228223","6.2388","0.0002","8.1434","0.0002","8.6344","0.0003","71.421","0.003","79.6","0.003","85.781","0.002","408.92","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0865","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228382","14.6718","0.0005","22.9104","0.0008","23.5888","0.0009","90","","104.564","0.004","90","","7674.3","0.5","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N7 O10 -","- C72 H109 Cl4 N7 O10 -","- C288 H436 Cl16 N28 O40 -","4","1","","Zhu, Jing-Yi; Li, Fu-Min; Yao, Lin; Han, Cong-Cong; Li, Shu-Ni; Zeng, Jing-Hui; Jiang, Jia-Xing; Lee, Jong-Min; Chen, Yu","In situ bubble template-assisted synthesis of phosphonate-functionalized Rh nanodendrites and their catalytic application","CrystEngComm","2017","19","21","2946","","10.1039/C7CE00606C","","","0.71073","MoKα","","0.1167","0.0929","","","0.2554","0.2772","","","","","","1.025","","","","has coordinates","197220","2020-10-21","18:00:00",""
"7236488","32.4215","0.0006","9.5567","0.0002","25.2788","0.0004","90","","90","","90","","7832.4","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Br4 N14 O8 Zn2 -","- C80 H66 Br4 N14 O8 Zn2 -","- C320 H264 Br16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.1249","0.0873","","","0.2458","0.2892","","","","","","1.024","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236489","32.2944","0.0008","9.5094","0.0002","25.206","0.0006","90","","90","","90","","7740.8","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Cl4 N14 O8 Zn2 -","- C80 H62 Cl4 N14 O8 Zn2 -","- C320 H248 Cl16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.0977","0.0681","","","0.1963","0.2219","","","","","","1.052","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236490","32.2573","0.0004","9.3547","0.0001","25.2417","0.0003","90","","90","","90","","7616.87","0.15","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C76 H60 I4 N12 O8 Zn2 -","- C76 H60 I4 N12 O8 Zn2 -","- C304 H240 I16 N48 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.092","0.0726","","","0.2108","0.2358","","","","","","1.049","","","","has coordinates,has disorder","235610","2020-10-21","18:00:00",""
"7236491","13.068","0.002","8.854","0.002","18.676","0.004","90","","90","","90","","2160.9","0.7","353","2","353","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0794","0.0628","","","0.1828","0.2155","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236492","13.3332","0.0004","8.7654","0.0002","17.6823","0.0005","90","","90","","90","","2066.55","0.1","296","2","296","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0367","0.0267","","","0.0735","0.0802","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236493","10.914","0.0009","20.5461","0.0015","11.5001","0.0008","90","","90","","90","","2578.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C12 H26 B2 Fe N18 O6 -","- C12 H26 B2 Fe N18 O6 -","- C48 H104 B8 Fe4 N72 O24 -","4","0.25","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0476","0.0356","","","0.0884","0.095","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236494","14.738","0.002","14.738","0.002","12.257","0.003","90","","90","","120","","2305.6","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","In-BDC-NH2","","- C12 H8.25 In0.75 N1.5 O6 -","- C12 H8.2503 In0.75 N1.5 O6 -","- C48 H33.0012 In3 N6 O24 -","4","0.333333","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0317","0.0281","","","0.0677","0.0682","","","","","","0.966","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236495","6.7","0.0013","9.21","0.0018","15.04","0.003","78.47","0.03","78.31","0.03","89.31","0.03","890.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","H2BDC-NH2/NO2","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","2","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0842","0.0586","","","0.1591","0.1801","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236496","24.8947","0.0001","24.8947","0.0001","24.8947","0.0001","90","","90","","90","","15428.4","0.11","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C36 H12 In3 N9 O28 -","- C33 H12 In3 N9 O28 -","- C264 H96 In24 N72 O224 -","8","0.166667","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.6889","synchrotron","","0.0343","0.0336","","","0.097","0.0979","","","","","","1.104","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236497","6.0405","0.0002","7.9031","0.0002","17.1183","0.001","95.991","0.004","96.311","0.004","107.186","0.004","767.88","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(cytosine-kN4)ruthenium(II)]","","- C14 H19 Cl2 N3 O Ru -","- C14 H19 Cl2 N3 O Ru -","- C28 H38 Cl4 N6 O2 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.036","0.03","","","0.0615","0.0645","","","","","","1.068","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236498","7.621","0.0003","25.8409","0.0008","8.7978","0.0003","90","","113.45","0.005","90","","1589.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(p-cymene)bis(chlorido)(hypoxanthine-kN9)ruthenium(II)]","","- C15 H18 Cl2 N4 O Ru -","- C15 H18 Cl2 N4 O Ru -","- C60 H72 Cl8 N16 O4 Ru4 -","4","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.025","0.0216","","","0.0474","0.0488","","","","","","1.049","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236499","8.5593","0.0005","10.1279","0.0007","11.1478","0.0008","101.641","0.006","110.181","0.006","99.969","0.005","856.87","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(5-aminouracil-kN5)ruthenium(II)]","","- C14 H19 Cl2 N3 O2 Ru -","- C14 H19 Cl2 N3 O2 Ru -","- C28 H38 Cl4 N6 O4 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0289","0.0268","","","0.067","0.0692","","","","","","1.078","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236500","6.6956","0.0013","15.2432","0.001","17.81","0.003","67.308","0.011","80.069","0.015","89.881","0.009","1647.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]","","- C14 H18 Cl2 N2 O Ru S -","- C14 H18 Cl2 N2 O Ru S -","- C56 H72 Cl8 N8 O4 Ru4 S4 -","4","2","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0746","0.0488","","","0.1178","0.1267","","","","","","0.944","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236501","14.4901","0.0003","14.4901","0.0003","17.3192","0.0007","90","","90","","90","","3636.39","0.18","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate","","- C60 H72 F12 N12 O16 Ru4 S4 -","- C60 H72 F12 N12 O16 Ru4 S4 -","- C120 H144 F24 N24 O32 Ru8 S8 -","2","0.25","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0685","0.0579","","","0.1379","0.146","","","","","","1.041","","","","has coordinates,has disorder","235620","2020-10-21","18:00:00",""
"8104104","8.38052","","10.76409","","7.11671","","90","","111.239","","90","","598.383","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K2 (C2 O6)","","- C2 K2 O6 -","- C2 K2 O6 -","- C8 K8 O24 -","4","1","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Stephens, P.","Crystal structure of K2 (C2 O6) - first proof of existence and constitution of a peroxodicarbonate ion","Zeitschrift fuer Kristallographie, Supplement Issue","2002","19","","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","164167","2020-10-21","18:00:00",""
"8107722","28.2341","0.0003","28.2341","0.0003","28.2341","0.0003","90","","90","","90","","22507.2","0.4","","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Aluminium magnesium (7.33/4.36)","","","- Al7.33 Mg4.36 -","- Al7.32832 Mg4.35744 -","- Al732.832 Mg435.744 -","100","0.520833","","Montagne, Pierre; Tillard, Monique","Mg2 Al3, a complex and disordered intermetallic compound as anode material for metal-air batteries","Zeitschrift fuer Kristallographie","2015","19","","685","","10.1007/s10008-014-2655-0","","","","","","","","","","","","","","","","","","","","","has coordinates","303192","2025-11-05","13:09:39",""
"9000009","5.31","","9.2","","28.46","","90","","97.14","","90","","1379.55","","","","","","","","","","","","Structure results from data of many samples","4","C 1 c 1","C -2yc","9","","","Vermiculite","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H8 Mg12 O48 Si16 -","4","1","","Gruner, J. W.","The structures of vermiculites and their collapse by dehydration","American Mineralogist","1934","19","","557","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9004159","10.365","","10.365","","10.365","","90","","90","","90","","1113.55","","","","","","","","","","","","Getchell mine, Humboldt County, Nevada, USA","9","I -4 3 m","I -4 2 3","217","","","Galkhaite","- As3.932 Cs0.595 Cu0.864 Fe0.03 Hg4.224 S12 Sb0.068 Tl0.304 Zn0.528 -","- As3.932 Cs0.595 Cu0.864 Fe0.03 Hg4.224 S12 Sb0.068 Tl0.304 Zn0.528 -","- As7.864 Cs1.19 Cu1.728 Fe0.06 Hg8.448 S24 Sb0.136 Tl0.608 Zn1.056 -","2","0.0416667","","Chen, T. T.; Szymanski, J. T.","The structure and chemistry of galkhaite, a mercury sulfosalt containing Cs and Tl","The Canadian Mineralogist","1981","19","","571","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004160","3.967","","3.967","","3.967","","90","","90","","90","","62.429","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","Atokite","- Pd3 Sn -","- Pd3 Sn -","- Pd3 Sn -","1","0.0208333","","Shelton, K. L.; Merewether, P. A.; Skinner, B. J.","Phases and phase relations in the system Pd-Pt-Sn Note: sample is synthetic","The Canadian Mineralogist","1981","19","","599","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9006107","11.512","","11.512","","11.512","","90","","90","","90","","1525.64","","","","100","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Fe3 O12 Si3 -","- Al2 Fe3 O12 Si3 -","- Al16 Fe24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.; Lager, G. A.; Jiang, K.; Lottermoser, W.; Amthauer, G.","A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 100 K","Physics and Chemistry of Minerals","1992","19","","121","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006108","11.525","","11.525","","11.525","","90","","90","","90","","1530.81","","","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Fe3 O12 Si3 -","- Al2 Fe3 O12 Si3 -","- Al16 Fe24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.; Lager, G. A.; Jiang, K.; Lottermoser, W.; Amthauer, G.","A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 293 K (A)","Physics and Chemistry of Minerals","1992","19","","121","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006109","11.525","","11.525","","11.525","","90","","90","","90","","1530.81","","","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Fe3 O12 Si3 -","- Al2 Fe3 O12 Si3 -","- Al16 Fe24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.; Lager, G. A.; Jiang, K.; Lottermoser, W.; Amthauer, G.","A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 293 K (B)","Physics and Chemistry of Minerals","1992","19","","121","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9006110","11.538","","11.538","","11.538","","90","","90","","90","","1536","","","","420","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Fe3 O12 Si3 -","- Al2 Fe3 O12 Si3 -","- Al16 Fe24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.; Lager, G. A.; Jiang, K.; Lottermoser, W.; Amthauer, G.","A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 420 K","Physics and Chemistry of Minerals","1992","19","","121","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006111","11.546","","11.546","","11.546","","90","","90","","90","","1539.2","","","","500","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Fe3 O12 Si3 -","- Al2 Fe3 O12 Si3 -","- Al16 Fe24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.; Lager, G. A.; Jiang, K.; Lottermoser, W.; Amthauer, G.","A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 500 K","Physics and Chemistry of Minerals","1992","19","","121","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006112","7.685","","7.685","","5.0636","","90","","90","","90","","299.052","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al2.06 Ca2 O7 Si0.95 -","- Al2.06 Ca2 O7 Si0.95 -","- Al4.12 Ca4 O14 Si1.9 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: O% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006113","7.7115","","7.7115","","5.0498","","90","","90","","90","","300.298","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al1.54 Ca2 Mg0.21 O7 Si1.24 -","- Al1.54 Ca2 Mg0.21 O7 Si1.24 -","- Al3.08 Ca4 Mg0.42 O14 Si2.48 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 25% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006114","7.7475","","7.7475","","5.0359","","90","","90","","90","","302.274","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.99 Ca2 Mg0.46 O7 Si1.52 -","- Al0.99 Ca2 Mg0.46 O7 Si1.52 -","- Al1.98 Ca4 Mg0.92 O14 Si3.04 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 50% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006115","7.7853","","7.7853","","5.0211","","90","","90","","90","","304.333","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.51 Ca2 Mg0.71 O7 Si1.74 -","- Al0.51 Ca2 Mg0.71 O7 Si1.74 -","- Al1.02 Ca4 Mg1.42 O14 Si3.48 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 75% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006116","7.8288","","7.8288","","5.0052","","90","","90","","90","","306.769","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg0.96 O7 Si2 -","- Ca2 Mg0.96 O7 Si2 -","- Ca4 Mg1.92 O14 Si4 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 100% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006117","10.139","","10.139","","10.139","","90","","90","","90","","1042.28","","","","293","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.003 Ni3.997 S8 -","- Fe5.003 Ni3.997 S8 -","- Fe20.012 Ni15.988 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 293 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006118","10.121","","10.121","","10.121","","90","","90","","90","","1036.74","","","","433","","","","2000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.004 Ni3.996 S8 -","- Fe5.004 Ni3.996 S8 -","- Fe20.016 Ni15.984 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 433 K, P = 2 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006119","10.129","","10.129","","10.129","","90","","90","","90","","1039.2","","","","523","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.006 Ni3.994 S8 -","- Fe5.006 Ni3.994 S8 -","- Fe20.024 Ni15.976 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006120","10.128","","10.128","","10.128","","90","","90","","90","","1038.89","","","","523","","","","1000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.005 Ni3.995 S8 -","- Fe5.005 Ni3.995 S8 -","- Fe20.02 Ni15.98 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 1 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006121","10.107","","10.107","","10.107","","90","","90","","90","","1032.44","","","","523","","","","2000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.001 Ni3.999 S8 -","- Fe5.001 Ni3.999 S8 -","- Fe20.004 Ni15.996 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 2 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006122","10.087","","10.087","","10.087","","90","","90","","90","","1026.33","","","","523","","","","2000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.001 Ni3.999 S8 -","- Fe5.001 Ni3.999 S8 -","- Fe20.004 Ni15.996 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 2 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006123","10.044","","10.044","","10.044","","90","","90","","90","","1013.26","","","","523","","","","4000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.002 Ni3.998 S8 -","- Fe5.002 Ni3.998 S8 -","- Fe20.008 Ni15.992 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 4 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006124","10.123","","10.123","","10.123","","90","","90","","90","","1037.36","","","","723","","","","1000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe5.007 Ni3.993 S8 -","- Fe5.007 Ni3.993 S8 -","- Fe20.028 Ni15.972 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 723 K, P = 1 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006125","10.044","","10.044","","10.044","","90","","90","","90","","1013.26","","","","293","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.228 Ni4.772 S8 -","- Fe4.228 Ni4.772 S8 -","- Fe16.912 Ni19.088 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 293 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006126","10.075","","10.075","","10.075","","90","","90","","90","","1022.67","","","","473","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.228 Ni4.772 S8 -","- Fe4.228 Ni4.772 S8 -","- Fe16.912 Ni19.088 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006127","10.08","","10.08","","10.08","","90","","90","","90","","1024.19","","","","473","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.234 Ni4.766 S8 -","- Fe4.234 Ni4.766 S8 -","- Fe16.936 Ni19.064 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006128","10.094","","10.094","","10.094","","90","","90","","90","","1028.47","","","","473","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.228 Ni4.772 S8 -","- Fe4.228 Ni4.772 S8 -","- Fe16.912 Ni19.088 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006129","10.101","","10.101","","10.101","","90","","90","","90","","1030.61","","","","473","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.229 Ni4.771 S8 -","- Fe4.229 Ni4.771 S8 -","- Fe16.916 Ni19.084 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006130","10.1","","10.1","","10.1","","90","","90","","90","","1030.3","","","","473","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.228 Ni4.772 S8 -","- Fe4.228 Ni4.772 S8 -","- Fe16.912 Ni19.088 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006131","10.073","","10.073","","10.073","","90","","90","","90","","1022.06","","","","448","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.226 Ni4.774 S8 -","- Fe4.226 Ni4.774 S8 -","- Fe16.904 Ni19.096 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006132","10.082","","10.082","","10.082","","90","","90","","90","","1024.8","","","","448","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.229 Ni4.771 S8 -","- Fe4.229 Ni4.771 S8 -","- Fe16.916 Ni19.084 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006133","10.098","","10.098","","10.098","","90","","90","","90","","1029.69","","","","448","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.233 Ni4.767 S8 -","- Fe4.233 Ni4.767 S8 -","- Fe16.932 Ni19.068 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006134","10.099","","10.099","","10.099","","90","","90","","90","","1029.99","","","","448","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.227 Ni4.773 S8 -","- Fe4.227 Ni4.773 S8 -","- Fe16.908 Ni19.092 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006135","10.046","","10.046","","10.046","","90","","90","","90","","1013.86","","","","423","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.231 Ni4.769 S8 -","- Fe4.231 Ni4.769 S8 -","- Fe16.924 Ni19.076 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006136","10.043","","10.043","","10.043","","90","","90","","90","","1012.96","","","","423","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.227 Ni4.773 S8 -","- Fe4.227 Ni4.773 S8 -","- Fe16.908 Ni19.092 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006137","10.071","","10.071","","10.071","","90","","90","","90","","1021.45","","","","423","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.231 Ni4.769 S8 -","- Fe4.231 Ni4.769 S8 -","- Fe16.924 Ni19.076 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006138","10.095","","10.095","","10.095","","90","","90","","90","","1028.77","","","","423","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.23 Ni4.77 S8 -","- Fe4.23 Ni4.77 S8 -","- Fe16.92 Ni19.08 S32 -","4","0.0208333","","Tsukimura K; Nakazawa H; Endo T; Fukunaga O","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9006140","10.044","","10.044","","10.044","","90","","90","","90","","1013.26","","","","293","","","","1000000","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.228 Ni4.772 S8 -","- Fe4.228 Ni4.772 S8 -","- Fe16.912 Ni19.088 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Naturala, Fe/(Fe+Ni) = .470, T = 293 K, P = 1 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006141","10.105","","10.105","","10.105","","90","","90","","90","","1031.83","","","","473","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.234 Ni4.766 S8 -","- Fe4.234 Ni4.766 S8 -","- Fe16.936 Ni19.064 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Naturala, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006142","10.051","","10.051","","10.051","","90","","90","","90","","1015.38","","","","293","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.419 Ni4.581 S8 -","- Fe4.419 Ni4.581 S8 -","- Fe17.676 Ni18.324 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Naturalb, Fe/(Fe+Ni) = .491, T = 293 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006143","10.109","","10.109","","10.109","","90","","90","","90","","1033.06","","","","533","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.421 Ni4.579 S8 -","- Fe4.421 Ni4.579 S8 -","- Fe17.684 Ni18.316 S32 -","4","0.0208333","","Tsukimura, K.; Nakazawa, H.; Endo, T.; Fukunaga, O.","Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and temperature and kinetics of the cation exchange reaction Sample: Naturalb, Fe/(Fe+Ni) = .491, T = 533 K, P = 0 GPa Note: structure was not refined in this study","Physics and Chemistry of Minerals","1992","19","","203","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006144","9.692","","8.853","","5.265","","90","","106.76","","90","","432.564","","","","","","","","","","","","sample from Pico Cabugi, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.288 Ca0.654 Cr0.041 Fe0.126 Mg0.957 Mn0.004 Na0.078 O6 Si1.863 Ti0.01 -","- Al0.288 Ca0.654 Cr0.041 Fe0.126 Mg0.957 Mn0.004 Na0.078 O6 Si1.863 Ti0.01 -","- Al1.152 Ca2.616 Cr0.164 Fe0.504 Mg3.828 Mn0.016 Na0.312 O24 Si7.452 Ti0.04 -","4","0.5","","Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.","Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC126","Physics and Chemistry of Minerals","1992","19","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006145","9.699","","8.861","","5.267","","90","","106.87","","90","","433.181","","","","","","","","","","","","sample from Pico Cabugi, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.255 Ca0.645 Cr0.044 Fe0.128 Mg0.957 Mn0.002 Na0.094 O6 Si1.883 Ti0.008 -","- Al0.255 Ca0.645 Cr0.044 Fe0.128 Mg0.957 Mn0.002 Na0.094 O6 Si1.883 Ti0.008 -","- Al1.02 Ca2.58 Cr0.176 Fe0.512 Mg3.828 Mn0.008 Na0.376 O24 Si7.532 Ti0.032 -","4","0.5","","Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.","Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC135 Note: z-coordinate of O2 altered to match reported bond lengths","Physics and Chemistry of Minerals","1992","19","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006146","9.709","","8.875","","5.263","","90","","106.62","","90","","434.553","","","","","","","","","","","","sample from Pico Cabugi, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.207 Ca0.694 Cr0.046 Fe0.123 Mg0.997 Mn0.003 Na0.052 O6 Si1.892 Ti0.002 -","- Al0.207 Ca0.694 Cr0.046 Fe0.123 Mg0.997 Mn0.003 Na0.052 O6 Si1.892 Ti0.002 -","- Al0.828 Ca2.776 Cr0.184 Fe0.492 Mg3.988 Mn0.012 Na0.208 O24 Si7.568 Ti0.008 -","4","0.5","","Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.","Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC138","Physics and Chemistry of Minerals","1992","19","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006147","9.712","","8.878","","5.262","","90","","106.59","","90","","434.819","","","","","","","","","","","","sample from Pico Cabugi, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.187 Ca0.712 Cr0.046 Fe0.11 Mg1.007 Mn0.003 Na0.048 O6 Si1.902 Ti0.003 -","- Al0.187 Ca0.712 Cr0.046 Fe0.11 Mg1.007 Mn0.003 Na0.048 O6 Si1.902 Ti0.003 -","- Al0.748 Ca2.848 Cr0.184 Fe0.44 Mg4.028 Mn0.012 Na0.192 O24 Si7.608 Ti0.012 -","4","0.5","","Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.","Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC105","Physics and Chemistry of Minerals","1992","19","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006148","9.716","","8.887","","5.26","","90","","106.57","","90","","435.319","","","","","","","","","","","","sample from Pico Cabugi, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.189 Ca0.72 Cr0.04 Fe0.111 Mg1.03 Mn0.003 Na0.027 O6 Si1.891 Ti0.003 -","- Al0.189 Ca0.72 Cr0.04 Fe0.111 Mg1.03 Mn0.003 Na0.027 O6 Si1.891 Ti0.003 -","- Al0.756 Ca2.88 Cr0.16 Fe0.444 Mg4.12 Mn0.012 Na0.108 O24 Si7.564 Ti0.012 -","4","0.5","","Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.","Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC109","Physics and Chemistry of Minerals","1992","19","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006149","9.724","","8.898","","5.256","","90","","106.56","","90","","435.908","","","","","","","","","","","","sample from Pico Cabugi, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.109 Ca0.737 Cr0.04 Fe0.116 Mg1.052 Mn0.003 Na0.022 O6 Si1.934 Ti0.001 -","- Al0.109 Ca0.737 Cr0.04 Fe0.116 Mg1.052 Mn0.003 Na0.022 O6 Si1.934 Ti0.001 -","- Al0.436 Ca2.948 Cr0.16 Fe0.464 Mg4.208 Mn0.012 Na0.088 O24 Si7.736 Ti0.004 -","4","0.5","","Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.","Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC133","Physics and Chemistry of Minerals","1992","19","","213","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006150","2.9701","","2.9701","","13.882","","90","","90","","120","","106.053","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","Phase-E","- H0.533 Mg0.338 O Si0.193 -","- Mg0.3385 O Si0.193 -","- Mg2.031 O6 Si1.158 -","6","0.166667","","Kudoh, Y.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; Kanzaki, M.; Veblen, D. R.","Phase E: A high pressure hydrous silicate with unique crystal chemistry Sample: 1","Physics and Chemistry of Minerals","1993","19","","357","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006151","2.9853","","2.9853","","13.9482","","90","","90","","120","","107.653","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","Phase-E","- H0.603 Mg0.361 O Si0.169 -","- H0.603 Mg0.3615 O Si0.169 -","- H3.618 Mg2.169 O6 Si1.014 -","6","0.166667","","Kudoh, Y.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; Kanzaki, M.; Veblen, D. R.","Phase E: A high pressure hydrous silicate with unique crystal chemistry Sample: 2","Physics and Chemistry of Minerals","1993","19","","357","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9006152","5.6921","","11.46","","8.253","","90","","90","","90","","538.355","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe00","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006153","5.7037","","11.4529","","8.2679","","90","","90","","90","","540.092","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.16 Mg1.85 O4 Si -","- Fe0.16 Mg1.85 O4 Si -","- Fe1.28 Mg14.8 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe08","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006154","5.7119","","11.4681","","8.2799","","90","","90","","90","","542.372","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.32 Mg1.68 O4 Si -","- Fe0.32 Mg1.68 O4 Si -","- Fe2.56 Mg13.44 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe16","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006155","5.717","","11.506","","8.299","","90","","90","","90","","545.907","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.5 Mg1.5 O4 Si -","- Fe0.5 Mg1.5 O4 Si -","- Fe4 Mg12 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe25","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006156","5.739","","11.515","","8.316","","90","","90","","90","","549.559","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.799 Mg1.201 O4 Si -","- Fe0.7995 Mg1.2005 O4 Si -","- Fe6.396 Mg9.604 O32 Si8 -","8","0.5","","Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.","The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe40","Physics and Chemistry of Minerals","1993","19","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006157","5.4139","","5.6012","","7.7769","","90","","90.183","","90","","235.828","","","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 295 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006158","5.4306","","5.6069","","7.7944","","90","","90.155","","90","","237.33","","","","373","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 373 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006159","5.4544","","5.6155","","7.822","","90","","90.118","","90","","239.581","","","","473","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 473 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006160","5.4766","","5.6227","","7.8461","","90","","90.089","","90","","241.607","","","","573","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 573 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006161","5.5022","","5.6284","","7.8725","","90","","90.055","","90","","243.8","","","","673","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 673 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006162","5.5395","","5.6378","","7.9085","","90","","90.011","","90","","246.987","","","","800","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 800 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006163","5.5443","","5.6391","","7.9127","","90","","90.098","","90","","247.389","","","","820","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 820 K Note: beta angle has been altered in order to reproduce bond lengths","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006164","5.5558","","5.6437","","7.9263","","90","","90.001","","90","","248.531","","","","840","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 840 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006165","5.5659","","5.642","","7.9322","","90","","89.989","","90","","249.093","","","","860","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 860 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006166","5.5732","","5.6414","","7.9365","","90","","89.99","","90","","249.529","","","","880","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 880 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006167","5.6323","","5.627","","7.958","","90","","90","","90","","252.213","","","","890","","","","","","","","","3","I m m m","-I 2 2","71","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.125","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 890 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006168","5.6333","","5.6273","","7.9619","","90","","90","","90","","252.394","","","","900","","","","","","","","","3","I m m m","-I 2 2","71","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.125","","Yang, H.; Ghose, S.; Hatch, D. M.","Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 900 K","Physics and Chemistry of Minerals","1993","19","","528","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006169","18.2929","","18.6407","","6.5871","","90","","90","","90","","2246.15","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al1.986 H4 Na1.982 O12 Si2.965 -","- Al1.986 H4 Na1.982 O12.152 Si2.965 -","- Al15.888 H32 Na15.856 O97.216 Si23.72 -","8","0.5","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.","Natrolite, Part I: refinement of high-order data, separation of internal and external vibrational amplitudes from displacement parameters","Physics and Chemistry of Minerals","1993","19","","562","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9006170","5.7249","","5.7249","","5.7249","","90","","90","","90","","187.631","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Cu0.25 Fe0.75 S2 -","- Cu0.25 Fe0.75 S2 -","- Cu Fe3 S8 -","4","0.166667","","Schmid-Beurmann P; Lottermoser, W.","57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series","Physics and Chemistry of Minerals","1993","19","","571","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006171","5.5624","","5.5624","","5.5624","","90","","90","","90","","172.102","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Cu0.6 Fe0.4 S2 -","- Cu0.6 Fe0.4 S2 -","- Cu2.4 Fe1.6 S8 -","4","0.166667","","Schmid-Beurmann P; Lottermoser, W.","57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series","Physics and Chemistry of Minerals","1993","19","","571","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9007486","7.12","","7.43","","6.79","","90","","102.42","","90","","350.796","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Crocoite","- Cr O4 Pb -","- Cr O4 Pb -","- Cr4 O16 Pb4 -","4","1","","Quareni, S.; De Pieri, R.","A three-dimensional refinement of the structure of crocoite, PbCrO4","Acta Crystallographica","1965","19","","287","289","10.1107/S0365110X65003304","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009431","10.98","","10","","8.52","","90","","100.4","","90","","920.127","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Vlasovite","- Na2 O11 Si4 Zr -","- Na2 O11 Si4 Zr -","- Na8 O44 Si16 Zr4 -","4","0.5","","Voronkov, A. A.; Zhdanova, T. A.; Pyatenko, Y. A.","Refinement of the structure of vlasovite Na2ZrSi4O11 and some characteristics of the composition and structure of the zirconosilicates","Kristallografiya","1974","19","","252","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010775","4.7733","","10.2676","","6.0112","","90","","90","","90","","294.611","","","","293.15","","","","","","","","Saar-Nahe basin, Germany","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.45 Mg1.55 O4 Si -","- Fe0.45 Mg1.55 O4 Si -","- Fe1.8 Mg6.2 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine III: variation of the cation distribution in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 20 C","European Journal of Mineralogy","2007","19","","15","27","10.1127/0935-1221/2007/0019-0015","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010776","4.7908","","10.3232","","6.0434","","90","","90","","90","","298.885","","","","723.15","","","","","","","","Saar-Nahe basin, Germany","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.45 Mg1.55 O4 Si -","- Fe0.45 Mg1.55 O4 Si -","- Fe1.8 Mg6.2 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine III: variation of the cation distribution, in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 450 C","European Journal of Mineralogy","2007","19","","15","27","10.1127/0935-1221/2007/0019-0015","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010777","4.7967","","10.3412","","6.0543","","90","","90","","90","","300.315","","","","873.15","","","","","","","","Saar-Nahe basin, Germany","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.44 Mg1.56 O4 Si -","- Fe0.44 Mg1.56 O4 Si -","- Fe1.76 Mg6.24 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine III: variation of the cation distribution, in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 600 C","European Journal of Mineralogy","2007","19","","15","27","10.1127/0935-1221/2007/0019-0015","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010778","4.801","","10.3537","","6.0613","","90","","90","","90","","301.296","","","","950.15","","","","","","","","Saar-Nahe basin, Germany","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.44 Mg1.56 O4 Si -","- Fe0.44 Mg1.56 O4 Si -","- Fe1.76 Mg6.24 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine III: variation of the cation distribution, in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 677 C","European Journal of Mineralogy","2007","19","","15","27","10.1127/0935-1221/2007/0019-0015","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010779","4.8046","","10.3634","","6.0668","","90","","90","","90","","302.078","","","","998.15","","","","","","","","Saar-Nahe basin, Germany","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.44 Mg1.56 O4 Si -","- Fe0.44 Mg1.56 O4 Si -","- Fe1.76 Mg6.24 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine III: variation of the cation distribution, in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 725 C","European Journal of Mineralogy","2007","19","","15","27","10.1127/0935-1221/2007/0019-0015","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010780","4.8081","","10.3727","","6.0722","","90","","90","","90","","302.839","","","","1073.15","","","","","","","","Saar-Nahe basin, Germany","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.44 Mg1.56 O4 Si -","- Fe0.44 Mg1.56 O4 Si -","- Fe1.76 Mg6.24 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine III: variation of the cation distribution, in the Fe,Mg olivine solid solution series with temperature and composition Sample: CSR-2, T = 800 C","European Journal of Mineralogy","2007","19","","15","27","10.1127/0935-1221/2007/0019-0015","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010781","10.011","","19.478","","10.056","","90","","90.37","","90","","1960.82","","","","","","","","","","","","Hilarion mine, Lavrion, Greece","7","P 1 21/n 1","-P 2yn","14","","","Lavendulan","- As4 Ca Cl Cu5 H10 Na O21 -","- As4 Ca Cl Cu5 H10 Na O21 -","- As16 Ca4 Cl4 Cu20 H40 Na4 O84 -","4","1","","Giester, G.; Kolitsch, U.; Leverett, P.; Turner, P.; Williams, P. A.","The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite Locality: Hilarion mine, Lavrion, Greece","European Journal of Mineralogy","2007","19","","75","93","10.1127/0935-1221/2007/0019-0075","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010782","9.676","","19.284","","9.766","","90","","90.07","","90","","1822.26","","","","","","","","","","","","Northparkes mine, Goonumbla, New South Wales, Australia","7","P 1 21/n 1","-P 2yn","14","","","Sampleite","- Ca Cl Cu5 H10 Na O21 P4 -","- Ca Cl Cu5 H10 Na O21 P4 -","- Ca4 Cl4 Cu20 H40 Na4 O84 P16 -","4","1","","Giester, G.; Kolitsch, U.; Leverett, P.; Turner, P.; Williams, P. A.","The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite Locality: Northparkes mine, Goonumbla, New South Wales, Australia","European Journal of Mineralogy","2007","19","","75","93","10.1127/0935-1221/2007/0019-0075","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010783","9.695","","9.673","","19.739","","90","","102.61","","90","","1806.47","","","","","","","","","","","","Lake Boga, Victoria, Australia","7","P 1 21/c 1","-P 2ybc","14","","","Sampleite","- Ca Cl Cu5 H10 Na O20.56 P4 -","- Ca Cl Cu5 H9.12 Na O20.56 P4 -","- Ca4 Cl4 Cu20 H36.48 Na4 O82.24 P16 -","4","1","","Giester, G.; Kolitsch, U.; Leverett, P.; Turner, P.; Williams, P. A.","The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite Locality: Lake Boga, Victoria, Australia Note: This is a polymorph or perhaps polytype of sampleite","European Journal of Mineralogy","2007","19","","75","93","10.1127/0935-1221/2007/0019-0075","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010784","9.58","","9.58","","6.985","","90","","90","","120","","555.173","","","","","","","","","","","","Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia","10","P 63/m","-P 6c","176","","","Fluorcalciobritholite","- Ca3.006 Ce0.931 F La0.542 Nd0.261 O12 P1.05 Pr0.079 Si1.95 Y0.179 -","- Ca3.006 Ce0.931 F La0.542 Nd0.261 O12 P1.05 Pr0.079 Si1.95 Y0.179 -","- Ca6.012 Ce1.862 F2 La1.084 Nd0.522 O24 P2.1 Pr0.158 Si3.9 Y0.358 -","2","0.166667","","Pekov, I. V.; Pasero, M.; Yaskovskaya, A. N.; Chukanov, N. V.; Pushcharovsky, D. Y.; Merlino, S.; Zubkova, N. V.; Kononkova, N. N.; Men'shikov, Y. P.; Zadov, A. E.","Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and crystal chemistry Locality: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia","European Journal of Mineralogy","2007","19","","95","103","10.1127/0935-1221/2007/0019-0095","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010785","7.39675","","7.39675","","15.8465","","90","","90","","90","","866.992","","","","5","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010786","7.3964","","7.3964","","15.8466","","90","","90","","90","","866.916","","","","25","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010787","7.39601","","7.39601","","15.8469","","90","","90","","90","","866.841","","","","50","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010788","7.39533","","7.39533","","15.8482","","90","","90","","90","","866.752","","","","100","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010789","7.39482","","7.39482","","15.8504","","90","","90","","90","","866.753","","","","150","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010790","7.39447","","7.39447","","15.8534","","90","","90","","90","","866.835","","","","200","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010791","7.39428","","7.39428","","15.8573","","90","","90","","90","","867.004","","","","250","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010792","7.39425","","7.39425","","15.8621","","90","","90","","90","","867.259","","","","300","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba0.5 Cu O12 Si4 Sr0.5 -","- Ba2 Cu4 O48 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010801","7.278","","14.134","","7.118","","90","","90","","90","","732.209","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","","Labuntsovite","- H6.7 Na1.33 O9.57 Si2 Ti -","- H5.14 Na1.33 O9.57 Si2 Ti -","- H20.56 Na5.32 O38.28 Si8 Ti4 -","4","0.25","","Cadoni, M.; Ferraris, G.","Microporous titanosilicates - synthesis and structural characterization of a new orthorhombic-type labuntsovite","European Journal of Mineralogy","2007","19","","217","222","10.1127/0935-1221/2007/0019-1717","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010802","5.9305","","4.7583","","10.2566","","90","","90.663","","90","","289.413","","","","","","","","","","","","Brattnevet, Larsemann Hills, Prydz Bay, East Antarctica","4","P 1 21/c 1","-P 2ybc","14","","","Chopinite","- Fe0.732 Mg2.268 O8 P2 -","- Fe0.732 Mg2.268 O8 P2 -","- Fe1.464 Mg4.536 O16 P4 -","2","0.5","","Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M. G.; Carson, C. J.","Chopinite, [(Mg,Fe)3_](PO4)2, a new mineral isostructural with sarcopside, from a fluorapatite segregation in granulite-facies paragneiss, Larsemann Hills, Prydz Bay, East Antarctica Locality: Brattnevet, Larsemann Hills, Prydz Bay, East Antarctica","European Journal of Mineralogy","2007","19","","229","245","10.1127/0935-1221/2007/0019-1712","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010803","8.818","","5.898","","19.126","","90","","97.26","","90","","986.741","","","","","","","","","","","","Bertrix, Ardennes mountains, Belgium","6","A 1 2/m 1","-A 2y","12","","","Pumpellyite-(Al)","- Al2.75 Ca2 Fe0.125 Mg0.125 O14 Si3 -","- Al2.75 Ca2 Fe0.125 Mg0.125 O14 Si3 -","- Al11 Ca8 Fe0.5 Mg0.5 O56 Si12 -","4","0.5","","Hatert, F.; Pasero, M.; Perchiazzi, N.; Theye, T.","Pumpellyite-(Al), a new mineral from Bertrix, Belgian Ardennes","European Journal of Mineralogy","2007","19","","247","253","10.1127/0935-1221/2007/0019-1720","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010804","4.277","","4.277","","86.93","","90","","90","","120","","1377.14","","","","","","","","","","","","Vihorlat Mountains, eastern Slovakia","4","P -3 m 1","-P 3 2""","164","","","Vihorlatite","- Bi21.68 S1.7 Se15.3 Te6.32 -","- Bi21.68 S1.7 Se15.3 Te6.32 -","- Bi21.68 S1.7 Se15.3 Te6.32 -","1","0.0833333","","Skala, R.; Ondrus, P.; Veselovky, F.; Taborsky, Z.; Duda, R.","Vihorlatite, Bi24Se17Te4, a new mineral of the tetradymite group from Vihorlat Mts, Slovakia Locality: Vihorlat Mountains, eastern Slovakia","European Journal of Mineralogy","2007","19","","255","265","10.1127/0935-1221/2007/0019-1715","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9010805","48.32","","4.117","","24.056","","90","","118.84","","90","","4191.99","","","","","","","","","","","","Buca della Vena mine, Apuan Alps, Tuscany, Italy","4","C 1 2/m 1","-C 2y","12","","","Marrucciite","- Hg3 Pb16.08 S46 Sb17.92 -","- Hg3 Pb16.08 S46 Sb17.92 -","- Hg6 Pb32.16 S92 Sb35.84 -","2","0.25","","Orlandi, P.; Moelo, Y.; Campostrini, I.; Meerschaut, A.","Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite, Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps: definition and crystal structure","European Journal of Mineralogy","2007","19","","267","279","10.1127/0935-1221/2007/0019-1718","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010806","18.975","","6.585","","10.955","","90","","100.42","","90","","1346.26","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As4 Fe3 H2 K O16 -","- As4 Fe3 H2 K O16 -","- As16 Fe12 H8 K4 O64 -","4","0.5","","Schwendtner, K.; Kolitsch, U.","Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy","European Journal of Mineralogy","2007","19","","399","409","10.1127/0935-1221/2007/0019-1726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010807","4.7","","8.712","","13.828","","90","","94.86","","90","","564.171","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As3 Fe H7 K O13 -","- As3 Fe H7 K O13 -","- As6 Fe2 H14 K2 O26 -","2","0.5","","Schwendtner, K.; Kolitsch, U.","Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy","European Journal of Mineralogy","2007","19","","399","409","10.1127/0935-1221/2007/0019-1726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010808","4.641","","8.696","","13.772","","90","","94.71","","90","","553.935","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As3 Ga H7 K O13 -","- As3 Ga H7 K O13 -","- As6 Ga2 H14 K2 O26 -","2","0.5","","Schwendtner, K.; Kolitsch, U.","Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy","European Journal of Mineralogy","2007","19","","399","409","10.1127/0935-1221/2007/0019-1726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010809","4.798","","8.832","","13.971","","90","","94.68","","90","","590.06","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As3 H7 In K O13 -","- As3 H7 In K O13 -","- As6 H14 In2 K2 O26 -","2","0.5","","Schwendtner, K.; Kolitsch, U.","Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy","European Journal of Mineralogy","2007","19","","399","409","10.1127/0935-1221/2007/0019-1726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010810","5.3641","","5.3641","","13.5771","","90","","90","","90","","390.662","","","","","","","","","","","","Krupka, Czech Republic","5","P b a a","-P 2a 2b","54","","","Kettnerite","- C Bi Ca F O4 -","- C Bi Ca F O4 -","- C4 Bi4 Ca4 F4 O16 -","4","0.5","","Hybler, J.; Dusek, M.","Revision of the crystal structure of kettnerite CaBi[OFCO3]","European Journal of Mineralogy","2007","19","","411","418","10.1127/0935-1221/2007/0019-1722","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010811","4.1035","","27.3144","","22.9366","","90","","90.359","","90","","2570.79","","","","","","","","","","","","Kutna Hora, central Bohemia, Czech Republic","4","P 1 21/c 1","-P 2ybc","14","","","Owyheeite","- Ag1.5 Pb4.43 S14 Sb6.07 -","- Ag1.5 Pb4.43 S14 Sb6.07 -","- Ag6 Pb17.72 S56 Sb24.28 -","4","1","","Laufek, F.; Pazout, R.; Makovicky, E.","Crystal structure of owyheeite, Ag1.5Pb4.43Sb6.07S14: refinement from powder synchrotron X-ray diffraction","European Journal of Mineralogy","2007","19","","557","566","10.1127/0935-1221/2007/0019-1740","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010812","8.2996","","8.2996","","8.2996","","90","","90","","90","","571.704","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.538 Cr1.222 Fe0.705 Mg0.499 Mn0.008 Ni0.004 O4 Ti0.016 V0.008 -","- Al0.538 Cr1.222 Fe0.705 Mg0.499 Mn0.008 Ni0.004 O4 Ti0.016 V0.008 -","- Al4.304 Cr9.776 Fe5.64 Mg3.992 Mn0.064 Ni0.032 O32 Ti0.128 V0.064 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV21, LG","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010813","8.3039","","8.3039","","8.3039","","90","","90","","90","","572.593","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.488 Cr1.256 Fe0.754 Mg0.463 Mn0.009 Ni0.004 O4 Ti0.016 V0.01 -","- Al0.488 Cr1.256 Fe0.754 Mg0.463 Mn0.009 Ni0.004 O4 Ti0.016 V0.01 -","- Al3.904 Cr10.048 Fe6.032 Mg3.704 Mn0.072 Ni0.032 O32 Ti0.128 V0.08 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV21A, LG","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010814","8.3011","","8.3011","","8.3011","","90","","90","","90","","572.014","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.596 Cr1.182 Fe0.704 Mg0.482 Mn0.007 Ni0.004 O4 Ti0.014 V0.01 Zn0.001 -","- Al0.596 Cr1.182 Fe0.704 Mg0.482 Mn0.007 Ni0.004 O4 Ti0.014 V0.01 Zn0.001 -","- Al4.768 Cr9.456 Fe5.632 Mg3.856 Mn0.056 Ni0.032 O32 Ti0.112 V0.08 Zn0.008 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV20, LG","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010815","8.3004","","8.3004","","8.3004","","90","","90","","90","","571.87","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.601 Cr1.186 Fe0.708 Mg0.468 Mn0.007 Ni0.004 O4 Ti0.016 V0.01 -","- Al0.601 Cr1.186 Fe0.708 Mg0.468 Mn0.007 Ni0.004 O4 Ti0.016 V0.01 -","- Al4.808 Cr9.488 Fe5.664 Mg3.744 Mn0.056 Ni0.032 O32 Ti0.128 V0.08 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV20A, LG","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010816","8.3171","","8.3171","","8.3171","","90","","90","","90","","575.328","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.451 Cr1.186 Fe0.915 Mg0.4 Mn0.01 Ni0.004 O4 Ti0.026 V0.008 -","- Al0.451 Cr1.186 Fe0.915 Mg0.4 Mn0.01 Ni0.004 O4 Ti0.026 V0.008 -","- Al3.608 Cr9.488 Fe7.32 Mg3.2 Mn0.08 Ni0.032 O32 Ti0.208 V0.064 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV28, MG","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010817","8.3191","","8.3191","","8.3191","","90","","90","","90","","575.743","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.45 Cr1.2 Fe0.916 Mg0.38 Mn0.01 Ni0.004 O4 Ti0.03 V0.01 -","- Al0.45 Cr1.2 Fe0.916 Mg0.38 Mn0.01 Ni0.004 O4 Ti0.03 V0.01 -","- Al3.6 Cr9.6 Fe7.328 Mg3.04 Mn0.08 Ni0.032 O32 Ti0.24 V0.08 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV28A, MG","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010818","8.2829","","8.2829","","8.2829","","90","","90","","90","","568.26","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.75 Cr1.126 Fe0.64 Mg0.445 Mn0.007 Ni0.004 O4 Ti0.018 V0.01 -","- Al0.75 Cr1.126 Fe0.64 Mg0.445 Mn0.007 Ni0.004 O4 Ti0.018 V0.01 -","- Al6 Cr9.008 Fe5.12 Mg3.56 Mn0.056 Ni0.032 O32 Ti0.144 V0.08 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV27, TW","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010819","8.2822","","8.2822","","8.2822","","90","","90","","90","","568.116","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.724 Cr1.152 Fe0.648 Mg0.431 Mn0.007 Ni0.004 O4 Ti0.022 V0.012 -","- Al0.724 Cr1.152 Fe0.648 Mg0.431 Mn0.007 Ni0.004 O4 Ti0.022 V0.012 -","- Al5.792 Cr9.216 Fe5.184 Mg3.448 Mn0.056 Ni0.032 O32 Ti0.176 V0.096 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV27A, TW","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010820","8.325","","8.325","","8.325","","90","","90","","90","","576.969","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.488 Cr1.18 Fe0.951 Mg0.314 Mn0.01 Ni0.004 O4 Ti0.036 V0.014 Zn0.003 -","- Al0.488 Cr1.18 Fe0.951 Mg0.314 Mn0.01 Ni0.004 O4 Ti0.036 V0.014 Zn0.003 -","- Al3.904 Cr9.44 Fe7.608 Mg2.512 Mn0.08 Ni0.032 O32 Ti0.288 V0.112 Zn0.024 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV34, UG1","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010821","8.3269","","8.3269","","8.3269","","90","","90","","90","","577.364","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.506 Cr1.188 Fe0.944 Mg0.299 Mn0.011 O4 Ti0.036 V0.014 Zn0.002 -","- Al0.506 Cr1.188 Fe0.944 Mg0.299 Mn0.011 O4 Ti0.036 V0.014 Zn0.002 -","- Al4.048 Cr9.504 Fe7.552 Mg2.392 Mn0.088 O32 Ti0.288 V0.112 Zn0.016 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV34A, UG1","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010822","8.2913","","8.2913","","8.2913","","90","","90","","90","","569.991","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.702 Cr1.072 Fe0.749 Mg0.434 Mn0.007 Ni0.004 O4 Ti0.02 V0.01 Zn0.002 -","- Al0.702 Cr1.072 Fe0.749 Mg0.434 Mn0.007 Ni0.004 O4 Ti0.02 V0.01 Zn0.002 -","- Al5.616 Cr8.576 Fe5.992 Mg3.472 Mn0.056 Ni0.032 O32 Ti0.16 V0.08 Zn0.016 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV29, UG2","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010823","8.2942","","8.2942","","8.2942","","90","","90","","90","","570.589","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.679 Cr1.082 Fe0.755 Mg0.439 Mn0.007 Ni0.004 O4 Ti0.024 V0.01 -","- Al0.679 Cr1.082 Fe0.755 Mg0.439 Mn0.007 Ni0.004 O4 Ti0.024 V0.01 -","- Al5.432 Cr8.656 Fe6.04 Mg3.512 Mn0.056 Ni0.032 O32 Ti0.192 V0.08 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV29A, UG2","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010824","8.2944","","8.2944","","8.2944","","90","","90","","90","","570.63","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.679 Cr1.062 Fe0.754 Mg0.462 Mn0.007 Ni0.006 O4 Ti0.02 V0.01 -","- Al0.679 Cr1.062 Fe0.754 Mg0.462 Mn0.007 Ni0.006 O4 Ti0.02 V0.01 -","- Al5.432 Cr8.496 Fe6.032 Mg3.696 Mn0.056 Ni0.048 O32 Ti0.16 V0.08 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV32, UG2","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010825","8.295","","8.295","","8.295","","90","","90","","90","","570.754","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.667 Cr1.07 Fe0.747 Mg0.468 Mn0.007 Ni0.006 O4 Ti0.022 V0.01 Zn0.003 -","- Al0.667 Cr1.07 Fe0.747 Mg0.468 Mn0.007 Ni0.006 O4 Ti0.022 V0.01 Zn0.003 -","- Al5.336 Cr8.56 Fe5.976 Mg3.744 Mn0.056 Ni0.048 O32 Ti0.176 V0.08 Zn0.024 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV32A, UG2","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010826","8.2902","","8.2902","","8.2902","","90","","90","","90","","569.764","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.685 Cr1.068 Fe0.739 Mg0.464 Mn0.007 Ni0.008 O4 Ti0.018 V0.008 Zn0.003 -","- Al0.685 Cr1.068 Fe0.739 Mg0.464 Mn0.007 Ni0.008 O4 Ti0.018 V0.008 Zn0.003 -","- Al5.48 Cr8.544 Fe5.912 Mg3.712 Mn0.056 Ni0.064 O32 Ti0.144 V0.064 Zn0.024 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV31, UG3","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010827","8.29","","8.29","","8.29","","90","","90","","90","","569.723","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.698 Cr1.064 Fe0.727 Mg0.469 Mn0.007 Ni0.006 O4 Ti0.018 V0.008 Zn0.003 -","- Al0.698 Cr1.064 Fe0.727 Mg0.469 Mn0.007 Ni0.006 O4 Ti0.018 V0.008 Zn0.003 -","- Al5.584 Cr8.512 Fe5.816 Mg3.752 Mn0.056 Ni0.048 O32 Ti0.144 V0.064 Zn0.024 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV31A, UG3","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010828","8.2994","","8.2994","","8.2994","","90","","90","","90","","571.663","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.62 Cr1.072 Fe0.842 Mg0.408 Mn0.009 Ni0.006 O4 Ti0.032 V0.01 Zn0.001 -","- Al0.62 Cr1.072 Fe0.842 Mg0.408 Mn0.009 Ni0.006 O4 Ti0.032 V0.01 Zn0.001 -","- Al4.96 Cr8.576 Fe6.736 Mg3.264 Mn0.072 Ni0.048 O32 Ti0.256 V0.08 Zn0.008 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV30, UG3B","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010829","8.3013","","8.3013","","8.3013","","90","","90","","90","","572.056","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.541 Cr1.118 Fe0.873 Mg0.406 Mn0.009 Ni0.006 O4 Ti0.034 V0.01 Zn0.003 -","- Al0.541 Cr1.118 Fe0.873 Mg0.406 Mn0.009 Ni0.006 O4 Ti0.034 V0.01 Zn0.003 -","- Al4.328 Cr8.944 Fe6.984 Mg3.248 Mn0.072 Ni0.048 O32 Ti0.272 V0.08 Zn0.024 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: BV30A, UG3B","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010830","8.2929","","8.2929","","8.2929","","90","","90","","90","","570.321","","","","","","","","","","","","Bushveld complex, South Africa","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.582 Cr1.168 Fe0.752 Mg0.453 Mn0.008 Ni0.006 O4 Ti0.022 V0.008 Zn0.001 -","- Al0.582 Cr1.168 Fe0.752 Mg0.453 Mn0.008 Ni0.006 O4 Ti0.022 V0.008 Zn0.001 -","- Al4.656 Cr9.344 Fe6.016 Mg3.624 Mn0.064 Ni0.048 O32 Ti0.176 V0.064 Zn0.008 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: MER, MR","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010831","8.2963","","8.2963","","8.2963","","90","","90","","90","","571.023","","","","","","","","","","","","Bushveld complex, South Africa","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Al0.618 Cr1.126 Fe0.745 Mg0.467 Mn0.008 Ni0.006 O4 Ti0.022 V0.008 -","- Al0.618 Cr1.126 Fe0.745 Mg0.467 Mn0.008 Ni0.006 O4 Ti0.022 V0.008 -","- Al4.944 Cr9.008 Fe5.96 Mg3.736 Mn0.064 Ni0.048 O32 Ti0.176 V0.064 -","8","0.0416667","","Lenaz, D.; Braidotti, R.; Princivalle, F.; Garuti, G.; Zaccarini, F.","Crystal chemistry and structural refinement of chromites from different chromitite layers and xenoliths of the Bushveld complex Sample: MER-A, MR","European Journal of Mineralogy","2007","19","","599","609","10.1127/0935-1221/2007/0019-1744","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010832","8.677","","6.317","","7.396","","90","","115.4","","90","","366.207","","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","NaCoS","- Co2 H3 Na O10 S2 -","- Co2 H3 Na O10 S2 -","- Co4 H6 Na2 O20 S4 -","2","0.25","","Krickl, R.; Wildner, M.","Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 293 K","European Journal of Mineralogy","2007","19","","805","816","10.1127/0935-1221/2007/0019-1770","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010833","8.659","","6.281","","7.368","","90","","115.41","","90","","361.959","","","","105","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","NaCoS","- Co2 H3 Na O10 S2 -","- Co2 H3 Na O10 S2 -","- Co4 H6 Na2 O20 S4 -","2","0.25","","Krickl, R.; Wildner, M.","Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 105 K","European Journal of Mineralogy","2007","19","","805","816","10.1127/0935-1221/2007/0019-1770","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010834","8.605","","6.185","","7.336","","90","","114.78","","90","","354.486","","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","NaNiS","- H3 Na Ni2 O10 S2 -","- H3 Na Ni2 O10 S2 -","- H6 Na2 Ni4 O20 S4 -","2","0.25","","Krickl, R.; Wildner, M.","Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 293 K","European Journal of Mineralogy","2007","19","","805","816","10.1127/0935-1221/2007/0019-1770","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010835","8.595","","6.172","","7.319","","90","","114.81","","90","","352.426","","","","105","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","NaNiS","- H3 Na Ni2 O10 S2 -","- H3 Na Ni2 O10 S2 -","- H6 Na2 Ni4 O20 S4 -","2","0.25","","Krickl, R.; Wildner, M.","Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 105 K","European Journal of Mineralogy","2007","19","","805","816","10.1127/0935-1221/2007/0019-1770","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010836","8.939","","6.382","","7.554","","90","","115.09","","90","","390.283","","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","NaCoSe","- Co2 H3 Na O10 Se2 -","- Co2 H3 Na O10 Se2 -","- Co4 H6 Na2 O20 Se4 -","2","0.25","","Krickl, R.; Wildner, M.","Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 293 K","European Journal of Mineralogy","2007","19","","805","816","10.1127/0935-1221/2007/0019-1770","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010837","9.078","","6.471","","7.687","","90","","113.99","","90","","412.555","","","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","KCoSe","- Co2 Cr0.08 H3 K O10 Se1.92 -","- Co2 Cr0.08 H3 K O10 Se1.92 -","- Co4 Cr0.16 H6 K2 O20 Se3.84 -","2","0.25","","Krickl, R.; Wildner, M.","Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 293 K","European Journal of Mineralogy","2007","19","","805","816","10.1127/0935-1221/2007/0019-1770","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010838","12.396","","9.407","","3.2152","","90","","97.78","","90","","371.471","","","","","","","","","","","","Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia","4","P 1 21/a 1","-P 2yab","14","","","Chukanovite","- C H2 Fe2 O5 -","- C H2 Fe2 O5 -","- C4 H8 Fe8 O20 -","4","1","","Pekov, I. V.; Perchiazzi, N.; Merlino, S.; Kalachev, V. N.; Merlini, M.; Zadov, A. E.","Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite Dronino Locality: Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia","European Journal of Mineralogy","2007","19","","891","898","10.1127/0935-1221/2007/0019-1767","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011060","11.35","","5.456","","3.749","","90","","90","","90","","232.159","","","","","","","","","","","","Lauta, Saxony, Germany","3","P n a 21","P 2c -2n","33","","","Lautite","- As Cu S -","- As Cu S -","- As4 Cu4 S4 -","4","1","","Craig, D. C.; Stephenson, N. C.","The crystal structure of lautite, CuAsS","Acta Crystallographica","1965","19","","543","547","10.1107/S0365110X65003869","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012128","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","","Guyanaite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.5","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012129","4.862","","4.298","","2.995","","90","","90","","90","","62.586","","","","","","","","","","","","Synthetic","3","P 21 n m","P -2 2ac","31","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012130","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Guyanaite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.25","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012131","4.862","","4.298","","2.995","","90","","90","","90","","62.586","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.25","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012381","3.245","","16.844","","6.576","","90","","90","","90","","359.436","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- As Pd2 -","- As Pd2 -","- As8 Pd16 -","8","1","","Balz, U.; Schubert, K.","Kristallstruktur von Pd2As(r) und Pd2Sb","Journal of the Less-Common Metals","1969","19","","300","304","10.1016/0022-5088(69)90111-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012419","20.201","","19.991","","13.469","","90","","90","","90","","5439.3","","","","","","","","","","","","Mt. Adamson, Northern Victoria Land, Antarctica","6","P n m a","-P 2ac 2n","62","","","Mutinaite","- Al2.808 Ca0.685 H44.28 Na0.444 O56.971 Si21.192 -","- Al2.808 Ca0.685 H17.942 Na0.444 O56.971 Si21.192 -","- Al11.232 Ca2.74 H71.768 Na1.776 O227.884 Si84.768 -","4","0.5","","Vezzalini, G.; Quartieri, S.; Galli, E.; Alberti, A.; Cruciani, G.; Kvick, A.","Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 Note: reported occupancies do not match reported chemistry","Zeolites","1997","19","","323","325","10.1016/S0144-2449(97)00124-3","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9012511","7.536","","9.473","","3.576","","81.9","","103.77","","108.09","","235.071","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","Wheatleyite","- C4 H4 Cu Na2 O10 -","- C4 H4 Cu Na2 O10 -","- C4 H4 Cu Na2 O10 -","1","0.5","","Gleizes, A.; Maury, F.; Galy, J.","Crystal structure and magnetism of solum bis(oxalato)cuprate(II) dihydrate, Na2Cu(C2O4)2*2H2O. A deductive proposal for the structure of copper oxalate, CuC2O4*xH2O (0 < x < 1)","Inorganic Chemistry","1980","19","","2074","2078","10.1021/ic50209a048","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012611","8.69","","7.18","","9.39","","90","","97.6","","90","","580.735","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Dashkovaite","- C2 H4 Mg O6 -","- C2 H4 Mg O6 -","- C8 H16 Mg4 O24 -","4","1","","Osaki, K.; Nakai, Y.; Watanabe, T.","The crystal structure of magnesium formate dihydrate and manganous formate dihydrate","Journal of the Physical Society of Japan","1964","19","","717","723","10.1143/JPSJ.19.717","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012612","8.86","","7.29","","9.6","","90","","97.7","","90","","614.467","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Mn O6 -","- C2 H4 Mn O6 -","- C8 H16 Mn4 O24 -","4","1","","Osaki, K.; Nakai, Y.; Watanabe, T.","The crystal structure of magnesium formate dihydrate and manganous formate dihydrate","Journal of the Physical Society of Japan","1964","19","","717","723","10.1143/JPSJ.19.717","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9013138","11.362","","11.362","","4.429","","90","","90","","120","","495.16","","","","","","","","","","","","Synthetic","1","R -3 :H","-R 3","148","Selenium","","Selenium","- Se6 -","- Se6 -","- Se18 -","3","0.166667","","Miyamoto, Y.","Structure and phase transformation of rhombohedral selenium composed of Se6 molecules Locality: synthetic","Japanese Journal of Applied Physics","1980","19","","1813","1819","10.1143/JJAP.19.1813","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014032","6.7022","","6.7022","","6.7022","","90","","90","","90","","301.059","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Insizwaite","- Bi2 Pt -","- Bi2 Pt -","- Bi8 Pt4 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014157","13.831","","20.296","","5.121","","90","","90","","90","","1437.54","","","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al2 H4 Mn O10 Si2 -","- Al2 H4 Mn O10 Si2 -","- Al16 H32 Mn8 O80 Si16 -","8","0.5","","Naumova, I. S.; Pobedimskaya, E. A.; Belov, N. V.","Crystal structure of carpholite MnAl2(Si2O6)(OH)4","Kristallografiya","1974","19","","1155","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014181","7.3964","","7.3964","","15.8466","","90","","90","","90","","866.916","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014206","7.39533","","7.39533","","15.8482","","90","","90","","90","","866.752","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014211","5.846","","6.613","","6.697","","90","","99.44","","90","","255.397","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","","- Cd Cu H3 N O6 -","- Cd Cu H3 N O6 -","- Cd2 Cu2 H6 N2 O12 -","2","0.5","","Effenberger, H.","CdCu(OH)3(NO3), a new layer compound","Zeitschrift fur Kristallographie","2002","19","","85","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014218","5.9855","","5.9855","","5.9855","","90","","90","","90","","214.438","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- As2 Pd -","- As2 Pd -","- As8 Pd4 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014252","4.546","","13.0012","","5.342","","90","","94.329","","90","","314.83","","","","","","","","","","","","Jachymov, Erzgebirge, Czech Republic","2","P 1 21/n 1","-P 2yn","14","","","Claudetite","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V.","Crystal structure and bonding in the new mineral AsSbO3","General Meeting of the International Mineralogical Association","2006","19","","142","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014306","6.6583","","6.6583","","6.6583","","90","","90","","90","","295.182","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Aurostibite","- Au Sb2 -","- Au Sb2 -","- Au4 Sb8 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014338","7.39425","","7.39425","","15.8621","","90","","90","","90","","867.259","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014581","7.39447","","7.39447","","15.8534","","90","","90","","90","","866.835","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014617","7.39601","","7.39601","","15.8469","","90","","90","","90","","866.841","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015091","7.39428","","7.39428","","15.8573","","90","","90","","90","","867.004","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015230","7.415","","5.89","","9.016","","90","","90","","90","","393.768","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","","- As Cd Cu H O5 -","- As Cd Cu H O5 -","- As4 Cd4 Cu4 H4 O20 -","4","0.5","","Effenberger, H.","CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type","Zeitschrift fur Kristallographie","2002","19","","85","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015432","4.5757","","13.1288","","5.4216","","90","","95.039","","90","","324.435","","","","","","","","","","","","Tsumeb, Namibia","3","P 1 21/n 1","-P 2yn","14","","","Stibioclaudetite","- As O3 Sb -","- As O3 Sb -","- As4 O12 Sb4 -","4","1","","Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V.","Crystal structure and bonding in the new mineral AsSbO3","General Meeting of the International Mineralogical Association","2006","19","","142","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015563","5.6956","","5.6956","","5.6956","","90","","90","","90","","184.764","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- P2 Pt -","- P2 Pt -","- P8 Pt4 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015863","6.4584","","6.4584","","6.4584","","90","","90","","90","","269.386","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- Pd Sb2 -","- Pd Sb2 -","- Pd4 Sb8 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016000","7.39675","","7.39675","","15.8465","","90","","90","","90","","866.992","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016109","7.39482","","7.39482","","15.8504","","90","","90","","90","","866.753","","","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.","Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K","European Journal of Mineralogy","2007","19","","189","200","10.1127/0935-1221/2007/0019-1711","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016130","5.9665","","5.9665","","5.9665","","90","","90","","90","","212.402","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As2 Pt -","- As8 Pt4 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016376","6.44","","6.44","","6.44","","90","","90","","90","","267.09","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Geversite","- Pt Sb2 -","- Pt Sb2 -","- Pt4 Sb8 -","4","0.166667","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016677","5.0598","","6.7462","","4.5074","","90","","90","","90","","153.857","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Cohenite","- C Fe2.7 Mn0.3 -","- C Fe2.7 Mn0.3 -","- C4 Fe10.8 Mn1.2 -","4","0.5","","Fasiska, E. J.; Jeffery, G. A.","On the cementite structure","Acta Crystallographica","1965","19","","463","471","10.1107/S0365110X65003602","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017387","9.118","","5.676","","5.604","","90","","87","","90","","289.631","","","","","","","","","","","","Langban, Sweden","4","P 1 2/c 1","-P 2yc","13","","","Quenselite","- H Mn O3 Pb -","- H Mn O3 Pb -","- H4 Mn4 O12 Pb4 -","4","1","","Bystrom, A.","The structure of quenselite, PbMnO2OH","Arkiv for Kemi, Mineralogi och Geologi","1944","19","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""