# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-08T18:55:00+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2006 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
"1101142","6.3589","0.0004","10.7795","0.0006","10.3836","0.0006","90","","90.019","0.001","90","","711.75","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Li5 O8 P2 V -","- F2 Li5 O8 P2 V -","- F8 Li20 O32 P8 V4 -","4","1","","Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.","Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)","Chemistry of Materials","2006","18","7","1745","1752","10.1021/cm0513738","","","0.71073","MoKα","","0.0422","0.0375","","","0.0732","0.0741","","","","","","1.683","","","","has coordinates","178242","2020-10-21","18:00:00",""
"1101148","10.68004","0.00011","11.28574","0.00011","6.48521","0.00006","90","","90","","90","","781.68","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 Na O9 -","- B3 Ca4 Na O9 -","- B12 Ca16 Na4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","","","","","","","","","","","","","","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101149","10.63455","0.0001","11.51705","0.00011","6.51942","0.00006","90","","90","","90","","798.49","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K O9 -","- B3 Ca4 K O9 -","- B12 Ca16 K4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.0693","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101150","11.03843","0.00008","11.98974","0.00009","6.88446","0.00005","90","","90","","90","","911.14","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 K O9 Sr4 -","- B3 K O9 Sr4 -","- B12 K4 O36 Sr16 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.057","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101151","11.8465","0.0012","14.2914","0.0014","20.564","0.002","90","","96.596","0.002","90","","3458.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 Mn12 O42 -","- C44 H88 Mn12 O42 -","- C88 H176 Mn24 O84 -","2","0.5","","Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell","New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior","Inorganic Chemistry","2006","45","6","2376","2378","10.1021/ic051819m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1101152","7.0989","0.0007","7.0989","0.0007","4.1353","0.0005","90","","90","","90","","208.4","0.04","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","Calcium tetraboride","Calcium tetraboride","","- B4 Ca -","- B3.99 Ca -","- B15.96 Ca4 -","4","0.25","","Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen","Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides","Inorganic Chemistry","2006","45","7","3067","3073","10.1021/ic0518430","","","0.71073","MoKα","","0.0264","0.0231","","","0.0572","0.0583","","","","","","1.114","","","","has coordinates","174546","2020-10-21","18:00:00",""
"1101153","11.7691","0.0015","11.7691","0.0015","12.112","0.002","90","","90","","120","","1452.8","0.4","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 Co3 H10 Na5 O39 P6 -","- B9 Co3 Na5 O39 P6 -","- B18 Co6 Na10 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101154","11.9683","0.0005","11.9683","0.0005","12.1303","0.0006","90","","90","","120","","1504.76","0.12","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 H10 Mn3 Na5 O39 P6 -","- B9 Mn3 Na5 O39 P6 -","- B18 Mn6 Na10 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101155","11.7171","0.0005","11.7171","0.0005","12.0759","0.0007","90","","90","","120","","1435.79","0.12","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 H10 Na5 Ni3 O39 P6 -","- B9 Na5 Ni3 O39 P6 -","- B18 Na10 Ni6 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101163","6.1944","0.0012","6.3315","0.0013","13.804","0.003","85.34","0.03","85.18","0.03","89.82","0.03","537.67","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba F Sb Se2 -","- Ba F Sb Se2 -","- Ba4 F4 Sb4 Se8 -","4","2","","Kabbour, Houria; Cario, Laurent","Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks","Inorganic Chemistry","2006","45","","2713","2717","10.1021/ic051969x","","","","","","","","","","","","","","","","","","","","","has coordinates","174547","2020-10-21","18:00:00",""
"1101164","4.19264","0.0001","4.19264","0.0001","14.2145","0.0004","90","","90","","90","","249.866","0.011","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","?","- F2 Sb2 Se4 Sr2 -","- F2 Sb2 Se4 Sr2 -","","","","Kabbour, Houria; Cario, Laurent","Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks","Inorganic Chemistry","2006","45","","2713","2717","10.1021/ic051969x","powder diffraction","","","","","","","","","","","","4.792","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101171","14.297","0.003","17.167","0.003","19.49","0.004","82.95","0.03","74.68","0.03","78.4","0.03","4507.3","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H50.5 Nd3 O85.75 P2 W17 -","- Nd3 O85.75 P2 W17 -","- Nd6 O171.5 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0917","0.0735","","","0.1848","0.1988","","","","","","1.041","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101172","12.904","0.003","12.951","0.003","25.514","0.005","88.24","0.03","76.11","0.03","64.66","0.03","3728.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H47 N4 Nd2 O74.5 P2 W17 -","- C20 H20 N4 Nd2 O74.5 P2 W17 -","- C40 H40 N8 Nd4 O149 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0611","0.0457","","","0.0892","0.095","","","","","","1.039","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101173","12.97","0.003","13.015","0.003","25.484","0.005","88.25","0.03","76.11","0.03","64.29","0.03","3749.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H47 La2 N4 O74.5 P2 W17 -","- C20 H20 La2 N4 O74.5 P2 W17 -","- C40 H40 La4 N8 O149 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0656","0.05","","","0.1103","0.1173","","","","","","1.033","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101174","12.875","0.003","12.914","0.003","25.503","0.005","88.24","0.03","76.29","0.03","64.97","0.03","3721.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 Eu2 N4 O75 P2 W17 -","- C20 H24 Eu2 N4 O75 P2 W17 -","- C40 H48 Eu4 N8 O150 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0621","0.0452","","","0.0862","0.0921","","","","","","1.031","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101175","7.467","0.0005","13.8824","0.0009","9.3289","0.0006","90","","90","","90","","967.03","0.11","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C0.5 H2 O2.5 P0.5 V0.5 -","- C0.5 H2 O2.5 P0.5 V0.5 -","- C8 H32 O40 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101176","7.4265","0.0013","9.3477","0.0016","16.793","0.003","90","","90","","90","","1165.8","0.3","90","2","90","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C0.75 H3 O2.75 P0.5 V0.5 -","- C0.75 H1.5 O2.75 P0.5 V0.5 -","- C12 H24 O44 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101177","7.4362","0.0005","19.1491","0.0012","9.3446","0.0006","90","","90","","90","","1330.64","0.15","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C H4 O3 P0.5 V0.5 -","- C H2.5 O3 P0.5 V0.5 -","- C16 H40 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101178","7.433","0.0004","9.3673","0.0005","21.8357","0.0011","90","","90","","90","","1520.36","0.14","90","2","90","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C1.25 H4.5 O3 P0.5 V0.5 -","- C1.25 H3 O3 P0.5 V0.5 -","- C20 H48 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101179","14.0943","0.0012","5.2746","0.0004","10.166","0.0008","90","","94.606","0.002","90","","753.32","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 O6 P V -","- C3 H10 O6 P V -","- C12 H40 O24 P4 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101180","8.9297","0.0003","8.9297","0.0003","34.847","0.002","90","","90","","90","","2778.6","0.2","90","2","90","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C4.5 H10 O3.5 P V0.5 -","- C4.5 H10 O3.5 P V0.5 -","- C72 H160 O56 P16 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101181","14.5794","0.0011","10.2424","0.0008","18.7815","0.0014","90","","98.837","0.001","90","","2771.3","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H17.5 N O11.75 P2 V2 -","- C4 H12 N O11.75 P2 V2 -","- C32 H96 N8 O94 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101182","15.5527","0.0007","10.0841","0.0005","18.7813","0.0008","90","","104.423","0.001","90","","2852.7","0.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H16 N O10.5 P2 V2 -","- C4.5 H13 N O10.5 P2 V2 -","- C36 H104 N8 O84 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101183","15.2003","0.0011","10.2122","0.0007","18.5903","0.0013","90","","103.53","0.001","90","","2805.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H16.5 N O10.25 P2 V2 -","- C5 H14 N O10.25 P2 V2 -","- C40 H112 N8 O82 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101184","15.712","0.001","10.03","0.001","18.656","0.002","90","","103.328","0.002","90","","2861","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5.5 H16 N O9.5 P2 V2 -","- C5.5 H15 N O9.5 P2 V2 -","- C44 H120 N8 O76 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101185","15.6403","0.0011","10.2112","0.0007","18.6795","0.0014","90","","105.484","0.001","90","","2875","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16.5 N O9.25 P2 V2 -","- C6 H16 N O9.25 P2 V2 -","- C48 H128 N8 O74 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101186","15.822","0.0015","10.0614","0.0009","18.6103","0.0017","90","","104.292","0.002","90","","2870.9","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6.5 H17 N O9 P2 V2 -","- C6.5 H17 N O9 P2 V2 -","- C52 H136 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101187","15.2345","0.001","10.1817","0.0006","18.6968","0.0012","90","","103.524","0.001","90","","2819.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H12.75 N O9 P2 V2 -","- C4.5 H7 N O9 P2 V2 -","- C36 H56 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101188","15.003","0.003","10.126","0.002","18.604","0.004","90","","101","0.03","90","","2774.3","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 N O10.5 P2 V2 -","- C4 H10 N O10.5 P2 V2 -","- C32 H80 N8 O84 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101189","15.0877","0.0009","10.2027","0.0006","18.6376","0.0011","90","","102.521","0.001","90","","2800.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 N O9.5 P2 V2 -","- C5 H14 N O9.5 P2 V2 -","- C40 H112 N8 O76 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101190","15.4228","0.0009","10.2047","0.0006","18.7078","0.0011","90","","103.835","0.001","90","","2858.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 N O9 P2 V2 -","- C6 H17 N O9 P2 V2 -","- C48 H136 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1101191","15.2768","0.0008","10.2216","0.0006","18.6279","0.001","90","","103.252","0.001","90","","2831.4","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H19.5 N O9 P2 V2 -","- C7 H19.5 N O9 P2 V2 -","- C56 H156 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101192","30.947","0.002","10.6168","0.0008","18.604","0.0014","90","","90","","90","","6112.5","0.8","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H32.75 N2 O18.75 P4 V4 -","- C12 H32 N2 O18.75 P4 V4 -","- C96 H256 N16 O150 P32 V32 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","175229","2020-10-21","18:00:00",""
"1101193","12.2895","0.0015","13.4657","0.0016","6.0846","0.0007","90","","103.401","0.002","90","","979.5","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O7 P2 V -","- C4 H11 N O7 P2 V -","- C16 H44 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101194","14.6046","0.001","13.4811","0.0009","6.0678","0.0004","90","","98.73","0.001","90","","1180.82","0.14","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 N O7 P2 V -","- C6 H15 N O7 P2 V -","- C24 H60 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101195","16.941","0.003","13.47","0.002","6.0553","0.001","90","","95.026","0.004","90","","1376.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O7 P2 V -","- C8 H19 N O7 P2 V -","- C32 H76 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101196","16.3248","0.0015","13.3361","0.0012","10.1019","0.0009","90","","89.994","0.002","90","","2199.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 N2 O15 P4 V3 -","- C9 H24 N2 O15 P4 V3 -","- C36 H96 N8 O60 P16 V12 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101219","29.166","","38.497","","37.405","","90","","90","","90","","41998.1","","293","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C258 H579 N17 O156 Si4 Ti8 W40 -","- C247.01 N17 O156 Si4 Ti8 W40 -","- C988.04 N68 O624 Si16 Ti32 W160 -","4","1","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71073","MoKα","","","0.0444","","","","0.1266","","","","","","1.006","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101220","33.2107","0.0003","35.4445","0.0004","85.0187","0.0008","90","","90","","90","","100079","1.7","296.1","","","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C100 H212 K8 O128 S2 Si2 Ti4 W20 -","- C100 K8 O128 S2 Si2 Ti4 W20 -","- C1600 K128 O2048 S32 Si32 Ti64 W320 -","16","0.5","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71069","MoKα","","","0.0546","","","","0.0538","","","","","","8.293","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101221","45.4319","0.0007","17.8884","0.0004","15.8179","0.0003","90","","96.328","0.0008","90","","12776.9","0.4","296.1","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C98 H200 K8 O126 Si2 Ti4 W20 -","- C98 K8 O126 Si2 Ti4 W20 -","- C196 K16 O252 Si4 Ti8 W40 -","2","0.25","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71069","MoKα","","","0.0602","","","","0.0783","","","","","","11.43","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101223","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","Botar, Bogdan; Kögerler, Paul; Hill, Craig L.","A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level","Journal of the American Chemical Society","2006","128","16","5336","5337","10.1021/ja060886s","","","0.71073","MoKα","","0.1577","0.0998","","","0.2731","0.3412","","","","","","1.044","","","","has coordinates","178224","2020-10-21","18:00:00",""
"1101224","7.3373","0.001","11.2668","0.0016","8.2369","0.0018","90","","97.387","0.003","90","","675.3","0.2","293","0.2","293","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","Sodium molybdenum tellurium oxide","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv","Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties","Chemistry of Materials","2006","18","8","2070","2074","10.1021/cm052614e","","","0.71073","MoKα","","0.0337","0.0331","","","0.0886","0.0891","","","","","","1.081","","","","has coordinates","178244","2020-10-21","18:00:00",""
"1500007","18.6201","0.001","12.0872","0.0006","24.0877","0.0012","90","","90","","90","","5421.3","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C64 H256 Br32 Cd8 Cl32 Co16 N64 -","8","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~","Journal of Molecular Structure","2006","794","","341","347","10.1016/j.molstruc.2006.02.053","","","0.71073","MoKα","","0.0973","0.0727","","","0.2214","0.2409","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500008","12.8349","0.0009","18.7451","0.0013","16.002","0.0011","90","","109.23","0.001","90","","3635.1","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H112 Cl7 Co6 N24 O26 P5 -","- C24 H96 Cl7 Co6 N24 O26 P5 -","- C48 H192 Cl14 Co12 N48 O52 P10 -","2","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O","Inorganic Chemistry Communications","2006","9","","782","784","10.1016/j.inoche.2006.04.001","","","0.71073","MoKα","","0.0457","0.0406","","","0.095","0.0975","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500009","10.2635","0.0018","9.048","0.0015","9.752","0.002","90","","104.493","0.012","90","","876.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co N7 O8 -","- C8 H26 Co N7 O8 -","- C16 H52 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0512","0.0408","","","0.1096","0.1184","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500010","6.1926","0.0007","18.248","0.003","6.2335","0.0006","90","","90.078","0.007","90","","704.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H18 Co N7 O8 -","- C4 H18 Co N7 O8 -","- C8 H36 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0999","0.0868","","","0.2891","0.2981","","","","","","1.236","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500023","36.332","0.002","9.1289","0.0005","19.2431","0.0011","90","","103.487","0.001","90","","6206.4","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 Co N4 O8 -","- C28 H41 Co N4 O8 -","- C224 H328 Co8 N32 O64 -","8","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate","Inorganic Chemistry Communications","2006","9","","1075","1078","10.1016/j.inoche.2006.07.002","","","0.71073","MoKα","","0.0628","0.0497","","","0.1321","0.1412","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501475","4.0055","0.0009","3.9897","0.0008","4.0426","0.0008","90","","90.19","0.02","90","","64.6","0.02","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501476","3.996","0.0001","3.996","0.0001","4.0492","0.0002","90","","90","","90","","64.658","0.004","","","300","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501477","3.9948","0.0001","3.9948","0.0001","4.0513","0.0002","90","","90","","90","","64.652","0.004","","","275","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501478","3.9938","0.0001","3.9938","0.0001","4.0532","0.0002","90","","90","","90","","64.65","0.004","","","245","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501479","4.001","0.0001","4.001","0.0001","4.0411","0.0002","90","","90","","90","","64.69","0.004","","","350","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501480","4.0024","0.0001","4.0024","0.0001","4.0393","0.0001","90","","90","","90","","64.706","0.003","","","375","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501481","4.0083","0.0002","4.0083","0.0002","4.029","0.0002","90","","90","","90","","64.732","0.006","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501482","4.0108","0.0001","4.0108","0.0001","4.0237","0.0002","90","","90","","90","","64.727","0.004","","","445","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501483","4.0054","0.0006","3.9896","0.0005","4.0452","0.0006","90","","90.23","0.01","90","","64.642","0.016","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501484","4.005","0.0002","3.9851","0.0002","4.0475","0.0002","90","","90.241","0.004","90","","64.599","0.006","","","150","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501485","4.0022","0.0002","3.9838","0.0002","4.0503","0.0002","90","","90.252","0.004","90","","64.577","0.006","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501486","4.0152","0.0001","4.0152","0.0001","4.0152","0.0001","90","","90","","90","","64.732","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501487","4.0157","0.0001","4.0157","0.0001","4.0157","0.0001","90","","90","","90","","64.757","0.003","","","530","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501488","4.0191","0.0001","4.0191","0.0001","4.0191","0.0001","90","","90","","90","","64.921","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501489","4.0189","0.0001","4.0189","0.0001","4.0189","0.0001","90","","90","","90","","64.911","0.003","","","455","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501490","4.0159","0.0001","4.0159","0.0001","4.0249","0.0002","90","","90","","90","","64.911","0.004","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501491","4.0134","0.0001","4.0134","0.0001","4.0301","0.0002","90","","90","","90","","64.914","0.004","","","400","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501492","4.0121","0.0001","4.0121","0.0001","4.0322","0.0002","90","","90","","90","","64.906","0.004","","","390","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501493","4.019","0.0002","4.0078","0.0002","4.0276","0.0002","90","","90.128","0.006","90","","64.874","0.006","","","340","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501494","4.02","0.0003","4.0046","0.0002","4.0281","0.0003","90","","90.178","0.005","90","","64.846","0.008","","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501495","4.0204","0.0004","3.9997","0.0002","4.0289","0.0004","90","","90.241","0.004","90","","64.786","0.01","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501496","4.022","0.0004","3.9946","0.0002","4.0314","0.0004","90","","90.314","0.005","90","","64.769","0.01","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501497","4.0215","0.0001","4.0215","0.0001","4.0215","0.0001","90","","90","","90","","65.038","0.003","","","550","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501498","4.0211","0.0001","4.0211","0.0001","4.0211","0.0001","90","","90","","90","","65.018","0.003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501499","4.0206","0.0001","4.0206","0.0001","4.0206","0.0001","90","","90","","90","","64.994","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501500","4.0166","0.0001","4.0166","0.0001","4.0287","0.0002","90","","90","","90","","64.995","0.004","","","415","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501501","5.6968","0.0003","5.682","0.0004","4.0132","0.0003","90","","90.125","0.008","90","","129.904","0.015","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501502","5.7025","0.0003","5.6778","0.0003","4.0087","0.0002","90","","90.24","0.006","90","","129.791","0.012","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501503","5.7022","0.0003","5.6815","0.0004","4.0167","0.0003","90","","90.248","0.005","90","","130.128","0.015","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501504","5.6987","0.0005","5.687","0.006","4.0211","0.0004","90","","90.135","0.008","90","","130.32","0.14","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501505","5.6969","0.0006","5.6889","0.0005","4.0215","0.0001","90","","90.109","0.001","90","","130.333","0.018","","","350","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501506","5.6952","0.0006","5.6903","0.0008","4.022","0.0001","90","","90.083","0.001","90","","130.34","0.02","","","375","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501507","4.0242","0.0001","4.0242","0.0001","4.0242","0.0001","90","","90","","90","","65.169","0.003","","","400","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501508","4.0244","0.0001","4.0244","0.0001","4.0244","0.0001","90","","90","","90","","65.178","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501509","4.02545","0.00001","4.02545","0.00001","4.02545","0.00001","90","","90","","90","","65.2294","0.0003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501603","5.8749","0.0008","12.036","0.005","13.084","0.005","105.66","0.03","95.65","0.03","102.12","0.02","859.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Cl2 N10 O -","- C10 H20 Cl2 N10 O -","- C20 H40 Cl4 N20 O2 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0463","0.0456","","","0.1109","0.111","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501604","9.3537","0.0003","9.6015","0.0003","11.4402","0.0004","82.983","0.002","71.193","0.002","73.759","0.002","933.19","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C10 H24 Cl2 N10 O3 -","- C10 H24 Cl2 N10 O3 -","- C20 H48 Cl4 N20 O6 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0818","0.0745","","","0.2142","0.2351","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501605","10.0311","0.0016","10.882","0.0018","21.127","0.003","88.09","0.007","87.28","0.007","62.735","0.006","2047.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N10 O -","- C10 H18 N10 O -","- C60 H108 N60 O6 -","6","3","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.1294","0.06","","","0.0903","0.1012","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501606","9.9072","0.0003","10.1769","0.0003","11.0195","0.0005","77.297","0.002","67.906","0.002","65.826","0.002","936.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 N10 O5 -","- C13 H24 N10 O5 -","- C26 H48 N20 O10 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0699","0.0487","","","0.1277","0.1357","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505674","4.95","0.001","5.1931","0.0009","33.2","0.007","91.997","0.01","92.826","0.011","90.042","0.013","851.9","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","2","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0856","0.0775","","","0.1973","0.2059","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505675","8.9778","0.0008","5.9703","0.0008","12.6038","0.0013","90","","107.981","0.005","90","","642.57","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0434","0.0363","","","0.0633","0.0659","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505676","4.945","0.001","10.887","0.002","18.475","0.004","90","","96.32","0.03","90","","988.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0885","0.0641","","","0.1878","0.1983","","","","","","1.178","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505677","5.888","0.0012","10.699","0.003","17.013","0.002","90","","90","","90","","1071.7","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0461","0.0363","","","0.0844","0.0874","","","","","","1.139","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505678","11.654","0.005","5.471","0.002","26.609","0.01","90","","102.416","0.006","90","","1656.9","1.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C84 H64 F4 N12 O8 -","4","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0695","0.0505","","","0.1191","0.1279","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505679","9.705","0.001","5.644","0.0006","15.603","0.0016","90","","98.293","0.002","90","","845.72","0.15","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C42 H32 F2 N6 O4 -","2","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0285","0.0284","","","0.0723","0.0723","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505680","8.8996","0.0004","12.0769","0.0004","10.5206","0.0003","90","","90.695","0.002","90","","1130.67","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C46 H60 O14 -","2","1","","Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H.","Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.","Journal of medicinal chemistry","2006","49","7","2174","2185","10.1021/jm050578p","","","1.54178","CuKα","","0.0548","0.0496","","","0.1202","0.1245","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505681","11.054","0.007","20.276","0.012","21.194","0.013","90","","90","","90","","4750","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Br2 N2 O15 -","- C45 H54 Br2 N2 O15 -","- C180 H216 Br8 N8 O60 -","4","1","","Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P.","Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds.","Journal of medicinal chemistry","2006","49","6","1891","1899","10.1021/jm0509243","","","0.71073","MoKα","","0.1251","0.0528","","","0.1005","0.1229","","","","","","0.923","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505682","10.218","0.0019","12.489","0.002","12.62","0.002","106.208","0.003","112.512","0.003","104.97","0.003","1302","0.4","128","2","128","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Au N O5 P S -","- C27 H25 Au N O5 P S -","- C54 H50 Au2 N2 O10 P2 S2 -","2","1","","Gunatilleke, Shamila S.; Barrios, Amy M.","Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation.","Journal of medicinal chemistry","2006","49","13","3933","3937","10.1021/jm060158f","","x-ray","0.71073","MoKα","","0.0533","0.0419","","","0.0866","0.0897","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505683","7.8903","0.0006","9.5995","0.0003","14.1039","0.0005","78.964","0.003","87.859","0.004","86.905","0.004","1046.59","0.09","153","2","100","2","","","","","","","","6","P -1","-P 1","2","(p-Cym)Ru(N-ImMe)2Cl.H2O","","","- C18 H28 Cl2 N4 O Ru -","- C18 H28 Cl2 N4 O Ru -","- C36 H56 Cl4 N8 O2 Ru2 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0291","0.0224","","","0.0567","0.0602","","","","","","1.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505684","8.563","0.007","13.044","0.011","13.243","0.003","110.87","0.03","98.93","0.04","95.91","0.06","1345.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ru(p-cymene)(bimid)2Cl]Cl","","","- C24 H38 Cl2 N4 Ru -","- C24 H38 Cl2 N4 Ru -","- C48 H76 Cl4 N8 Ru2 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0803","0.0512","","","0.1297","0.1486","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505685","8.4268","0.0004","13.5307","0.0008","19.9593","0.0011","90","","91.305","0.004","90","","2275.2","0.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B2 F8 N6 Ru -","- C18 H24 B2 F8 N6 Ru -","- C72 H96 B8 F32 N24 Ru4 -","4","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0371","0.0273","","","0.0651","0.0678","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505686","12.4321","0.001","12.9605","0.0011","13.0867","0.0013","90.149","0.008","117.791","0.006","90.948","0.006","1865","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cl4 N4 Ru2 -","- C34 H52 Cl4 N4 Ru2 -","- C68 H104 Cl8 N8 Ru4 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0523","0.0356","","","0.0935","0.1257","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505687","13.3895","0.0017","12.5339","0.0009","18.671","0.002","90","","104.039","0.009","90","","3039.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B Cl N4 Ru -","- C36 H34 B Cl N4 Ru -","- C144 H136 B4 Cl4 N16 Ru4 -","4","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0762","0.0473","","","0.1055","0.1367","","","","","","1.26","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505688","17.4953","0.0009","17.5283","0.0009","30.01","0.002","90","","96.766","0.005","90","","9138.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H130 Cl2 N6 O6 Zn2 -","- C91 H130 Cl2 N6 O6 Zn2 -","- C364 H520 Cl8 N24 O24 Zn8 -","4","1","","Görner, Helmut; Khanra, Sumit; Weyhermüller, Thomas; Chaudhuri, Phalguni","Photoinduced intramolecular proton transfer of phenol-containing ligands and their zinc complexes.","The journal of physical chemistry. A","2006","110","8","2587","2594","10.1021/jp053662p","","","0.71073","MoKα","","0.0999","0.0814","","","0.1664","0.1744","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505689","8.745","0.004","10.993","0.005","10.41","0.005","90","","102.383","0.002","90","","977.5","0.8","148.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl N3 -","- C8 H12 Cl N3 -","- C32 H48 Cl4 N12 -","4","1","","Saha, Satyen; Hamaguchi, Hiro-o","Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.","The journal of physical chemistry. B","2006","110","6","2777","2781","10.1021/jp053817t","","","0.7107","MoKα","","","0.034","","","","0.082","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505690","7.216","0.001","13.874","0.002","10.896","0.002","90","","99.055","0.005","90","","1077.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[nbmim]Cl.H2O","1-butyronitrile-3-methylimidazolium chloride. H2O","","- C8 H14 Cl N3 O -","- C8 H14 Cl N3 O -","- C32 H56 Cl4 N12 O4 -","4","1","","Saha, Satyen; Hamaguchi, Hiro-o","Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.","The journal of physical chemistry. B","2006","110","6","2777","2781","10.1021/jp053817t","","","0.71069","MoKα","","0.0553","0.0532","","","0.1534","0.1569","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505691","7.866","0.002","7.928","0.002","9.05","0.002","87.38","0.006","87.004","0.006","75.926","0.005","546.4","0.2","143.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 I N3 -","- C8 H12 I N3 -","- C16 H24 I2 N6 -","2","1","","Saha, Satyen; Hamaguchi, Hiro-o","Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.","The journal of physical chemistry. B","2006","110","6","2777","2781","10.1021/jp053817t","","","0.7107","MoKα","","","0.029","","","","0.087","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505692","14.257","0.004","38.099","0.01","16.146","0.004","90","","105.981","0.005","90","","8431","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H67 N6 O25.5 S4 -","- C64 H47 N6 O25.25 S4 -","- C256 H188 N24 O101 S16 -","4","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Ma, Yu-Hong; Yang, En-Cui","The structure and thermodynamics of calix[n]arene complexes with dipyridines and phenanthroline in aqueous solution studied by microcalorimetry and NMR spectroscopy.","The journal of physical chemistry. B","2006","110","7","3428","3434","10.1021/jp0545703","","","0.71073","MoKα","","0.2965","0.1654","","","0.3793","0.4583","","","","","","1.236","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505693","25.09153","0.00018","25.09153","","25.09153","","90","","90","","90","","15797.2","0.11","5","","","","","","","","","","","4","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al2.75 Na2.59 O12 Si3.25 -","- Al2.7522 Na2.5885 O12 Si3.2478 -","- Al88.0704 Na82.832 O384 Si103.93 -","32","0.333333","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.02326","","1.91","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505694","25.10741","0.00016","25.10741","","25.10741","","90","","90","","90","","15827.3","0.1","5","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al0.92 D0.38 Na0.91 O4.19 Si1.08 -","- Al0.9174 D0.3798 Na0.906333 O4.18967 Si1.0826 -","- Al88.0704 D36.4608 Na87.008 O402.208 Si103.93 -","96","1","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.01929","","1.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505695","25.10442","0.00014","25.10442","","25.10442","","90","","90","","90","","15821.6","0.09","5","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al0.92 D0.89 Na0.84 O4.45 Si1.08 -","- Al0.9174 D0.8924 Na0.8435 O4.44607 Si1.0826 -","- Al88.0704 D85.6704 Na80.976 O426.822 Si103.93 -","96","1","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.0163","","1.5","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505696","25.05049","0.00015","25.05049","","25.05049","","90","","90","","90","","15719.9","0.09","5","","5","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al2.75 D4.1 Na2.92 O14.05 Si3.25 -","- Al2.7522 D4.0998 Na2.9195 O14.0503 Si3.2478 -","- Al88.0704 D131.194 Na93.424 O449.61 Si103.93 -","32","0.333333","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.0194","","1.49","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505697","12.905","0.002","21.344","0.004","5.1279","0.001","90","","90","","90","","1412.5","0.4","150","2","150","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- F1.28 O48 Si24 -","- F1.28 O48 Si24 -","- F1.28 O48 Si24 -","1","0.125","","Burton, Allen; Darton, Richard J.; Davis, Mark E.; Hwang, Song-Jong; Morris, Russell E.; Ogino, Isao; Zones, Stacey I.","Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55.","The journal of physical chemistry. B","2006","110","11","5273","5278","10.1021/jp054950o","","","0.6897","synchrotron","","0.0403","0.0388","","","0.1079","0.1085","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505698","9.376","0.004","18.932","0.008","20.837","0.008","96.88","0.04","101.14","0.04","104.49","0.04","3458","3","177","2","177","2","","","","","","","chemical synthesis","8","P -1","-P 1","2","Zn(II) complex","","","- C69 H78 B2 Cl2 F4 N10 O10 Zn -","- C69 H78 B2 Cl2 F4 N10 O10 Zn -","- C138 H156 B4 Cl4 F8 N20 O20 Zn2 -","2","1","","Harriman, Anthony; Rostron, James P.; Cesario, Michèle; Ulrich, Gilles; Ziessel, Raymond","Electron transfer in self-assembled orthogonal structures.","The journal of physical chemistry. A","2006","110","26","7994","8002","10.1021/jp054992c","","","0.947","synchrotronDCI","","0.0399","0.0398","","0.1049","","0.1048","","","1.042","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505699","14.138","0.004","5.0768","0.0018","14.813","0.005","90","","99.545","0.002","90","","1048.5","0.6","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-H-pyrrole-2-carboxylic acid amide","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","","Grabowski, Sławomir J; Dubis, Alina T.; Palusiak, Marcin; Leszczynski, Jerzy","Heteronuclear intermolecular resonance-assisted hydrogen bonds. The structure of pyrrole-2-carboxamide (PyCa).","The journal of physical chemistry. B","2006","110","12","5875","5882","10.1021/jp055334v","","","0.71069","MoKα","","","0.0277","","","","0.0777","","","","","","0.877","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505700","12.12","0.03","20.95","0.05","27.35","0.05","90.87","0.19","91.28","0.18","103.59","0.18","6747","3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Li Ni O8 S10 -","- C22 H32 Li Ni O8 S10 -","- C176 H256 Li8 Ni8 O64 S80 -","8","4","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0995","","","","0.3736","","","","","","1.065","","","","has coordinates","210235","2020-10-21","18:00:00",""
"1505701","30.03","0.04","11.327","0.017","10.357","0.019","90","","106.47","0.05","90","","3378","9","100.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Na Ni O8 S10 -","- C22 H32 Na Ni O8 S10 -","- C88 H128 Na4 Ni4 O32 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0599","","","","0.2002","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505702","10.477","0.015","11.588","0.02","14.498","0.017","90","","92.58","0.04","90","","1758","4","296.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H32 Na Ni O8 S10 -","- C22 H32 Na Ni O8 S10 -","- C44 H64 Na2 Ni2 O16 S20 -","2","0.25","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0862","","","","0.2908","","","","","","1.201","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505703","29.872","0.01","11.268","0.006","10.309","0.005","90","","106.376","0.017","90","","3329","3","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 K Ni O8 S10 -","- C22 H32 K Ni O8 S10 -","- C88 H128 K4 Ni4 O32 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0206","","","","0.0519","","","","","","0.978","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505704","10.472","0.016","11.584","0.014","14.494","0.015","90","","92.61","0.04","90","","1756","4","296.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H32 K Ni O8 S10 -","- C22 H32 K Ni O8 S10 -","- C44 H64 K2 Ni2 O16 S20 -","2","0.25","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0423","","","","0.1385","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505705","30.614","0.015","11.144","0.006","10.275","0.004","90","","106.24","0.018","90","","3366","3","100.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ni O8 Rb S10 -","- C22 H32 Ni O8 Rb S10 -","- C88 H128 Ni4 O32 Rb4 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0338","","","","0.0801","","","","","","1.051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505706","31.19","0.05","11.346","0.014","10.41","0.013","90","","107.04","0.05","90","","3522","8","298.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ni O8 Rb S10 -","- C22 H32 Ni O8 Rb S10 -","- C88 H128 Ni4 O32 Rb4 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0421","","","","0.0977","","","","","","0.809","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505707","12.196","0.002","26.506","0.005","7.2171","0.0014","90","","102.83","0.03","90","","2274.8","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 N6 Ni O2 S4 -","- C20 H11 N6 Ni O2 S4 -","- C80 H44 N24 Ni4 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0391","0.0264","","","0.0624","0.0658","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505708","12.176","0.002","26.492","0.005","7.2027","0.0014","90","","102.82","0.03","90","","2265.4","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.01 N6 Ni0.99 O2 S4 -","- C20 H11 N6 Ni O2 S4 -","- C80 H44 N24 Ni4 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0537","0.0373","","","0.0846","0.1014","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505709","12.152","0.002","26.427","0.005","7.1924","0.0014","90","","102.85","0.03","90","","2251.9","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.04 N6 Ni0.96 O2 S4 -","- C20 H11 Au0.0353 N6 Ni0.9647 O2 S4 -","- C80 H44 Au0.1412 N24 Ni3.8588 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.1534","0.0544","","","0.0737","0.0914","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505710","12.188","0.002","26.503","0.005","7.215","0.0014","90","","102.93","0.03","90","","2271.5","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.11 N6 Ni0.89 O2 S4 -","- C20 H11 Au0.1062 N6 Ni0.8938 O2 S4 -","- C80 H44 Au0.4248 N24 Ni3.5752 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0758","0.0409","","","0.0735","0.0946","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505711","12.194","0.002","26.577","0.005","7.226","0.0014","90","","102.98","0.03","90","","2282","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.21 N6 Ni0.79 O2 S4 -","- C20 H11 Au0.2082 N6 Ni0.7918 O2 S4 -","- C80 H44 Au0.8328 N24 Ni3.1672 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0724","0.0508","","","0.1017","0.1172","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505712","12.191","0.002","26.626","0.005","7.2551","0.0015","90","","103.02","0.03","90","","2294.4","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.27 N6 Ni0.73 O2 S4 -","- C20 H11 Au0.2676 N6 Ni0.7324 O2 S4 -","- C80 H44 Au1.0704 N24 Ni2.9296 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0415","0.0343","","","0.0772","0.0804","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505713","12.2","0.002","26.524","0.005","7.2281","0.0014","90","","103.03","0.03","90","","2278.7","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.35 N6 Ni0.65 O2 S4 -","- C20 H11 Au0.3479 N6 Ni0.6521 O2 S4 -","- C80 H44 Au1.3916 N24 Ni2.6084 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0494","0.0354","","","0.0793","0.0917","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505714","12.15","0.002","26.553","0.005","7.2316","0.0014","90","","103.14","0.03","90","","2272","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.41 N6 Ni0.59 O2 S4 -","- C20 H11 Au0.4111 N6 Ni0.5889 O2 S4 -","- C80 H44 Au1.6444 N24 Ni2.3556 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0442","0.0326","","","0.064","0.0697","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505715","12.176","0.002","26.582","0.005","7.2458","0.0014","90","","103.15","0.03","90","","2283.7","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.49 N6 Ni0.51 O2 S4 -","- C20 H11 Au0.4883 N6 Ni0.5117 O2 S4 -","- C80 H44 Au1.9532 N24 Ni2.0468 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0751","0.0465","","","0.093","0.102","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505716","12.191","0.002","26.626","0.005","7.2551","0.0015","90","","103.22","0.03","90","","2292.6","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.57 N6 Ni0.43 O2 S4 -","- C20 H11 Au0.5709 N6 Ni0.4291 O2 S4 -","- C80 H44 Au2.2836 N24 Ni1.7164 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.043","0.0338","","","0.0839","0.0865","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505717","12.203","0.002","26.67","0.005","7.2823","0.0015","90","","103.4","0.03","90","","2305.5","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.73 N6 Ni0.27 O2 S4 -","- C20 H11 Au0.7252 N6 Ni0.2748 O2 S4 -","- C80 H44 Au2.9008 N24 Ni1.0992 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0537","0.0425","","","0.0695","0.0723","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505718","12.237","0.002","26.762","0.005","7.3168","0.0015","90","","103.6","0.03","90","","2329","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au N6 O2 S4 -","- C20 H11 Au N6 O2 S4 -","- C80 H44 Au4 N24 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0741","0.0397","","","0.0878","0.1095","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505719","12.045","0.002","26.43","0.005","7.1337","0.0014","90","","101.88","0.03","90","","2222.4","0.8","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.35 N6 Ni0.65 O2 S4 -","- C20 H11 Au0.354 N6 Ni0.65 O2 S4 -","- C80 H44 Au1.416 N24 Ni2.6 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.1394","0.1094","","","0.222","0.2329","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505720","12.061","0.002","26.487","0.005","7.1393","0.0014","90","","102.01","0.03","90","","2230.8","0.8","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.49 N6 Ni0.51 O2 S4 -","- C20 H11 Au0.485 N6 Ni0.51 O2 S4 -","- C80 H44 Au1.94 N24 Ni2.04 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0674","0.0518","","","0.1495","0.188","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505721","7.072","0.004","11.974","0.006","26.325","0.014","89.419","0.01","88.557","0.01","78.817","0.009","2186","2","10","2","10","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H11 Au0.27 N6 Ni0.73 O2 S4 -","- C20 H11 Au0.27 N6 Ni0.73 O2 S4 -","- C80 H44 Au1.08 N24 Ni2.92 O8 S16 -","4","2","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.1643","0.1588","","","0.3869","0.3884","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505722","16.345","0.004","17.334","0.004","14.973","0.003","90","","90","","90","","4242.2","1.7","293","2","293","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C36 H49 Cl N12 Ni2 O6 -","- C18 H24.5 Cl0.5 N6 Ni O3.5 -","- C144 H196 Cl4 N48 Ni8 O28 -","8","1","","Sarkar, Sumana; Datta, Ayan; Mondal, Amrita; Chopra, Deepak; Ribas, Joan; Rajak, Kajal Krishna; Sairam S M, Sairam; Pati, Swapan K.","Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand.","The journal of physical chemistry. B","2006","110","1","12","15","10.1021/jp0556963","","","0.71073","MoKα","","0.1434","0.1057","","","0.1991","0.2139","","","","","","1.283","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505723","7.558","0.002","4.9822","0.0014","16.015","0.004","90","","92.395","0.006","90","","602.5","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cl O4 -","- C4 H3 Cl O4 -","- C16 H12 Cl4 O16 -","4","1","","Wong, Alan; Pike, Kevin J.; Jenkins, Rob; Clarkson, Guy J.; Anupõld, Tiit; Howes, Andrew P.; Crout, David H. G.; Samoson, Ago; Dupree, Ray; Smith, Mark E.","Experimental and theoretical 17O NMR study of the influence of hydrogen-bonding on C=O and O-H oxygens in carboxylic solids.","The journal of physical chemistry. A","2006","110","5","1824","1835","10.1021/jp055807y","","","0.71073","MoKα","","0.0423","0.031","","","0.0734","0.077","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505724","17.4135","0.0011","10.5109","0.0007","17.2309","0.0011","90","","96.324","0.001","90","","3134.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(N,N-diethyldithiocarbamate)(2,2'-Bipyridyl)ytterbium(III)","","- C25 H38 N5 S6 Yb -","- C25 H38 N5 S6 Yb -","- C100 H152 N20 S24 Yb4 -","4","1","","Liu, G. K.; Jensen, M. P.; Almond, P. M.","Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides.","The journal of physical chemistry. A","2006","110","6","2081","2088","10.1021/jp0558674","","","0.71073","MoKα","","0.0392","0.025","","","0.0495","0.0526","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505725","8.7852","0.0001","14.581","0.0001","17.7406","0.0005","73.052","0.007","86.854","0.009","69.249","0.007","2029.83","0.14","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F18 N4 Ni1.5 O11 -","- C29 H29 F18 N4 Ni1.5 O11 -","- C58 H58 F36 N8 Ni3 O22 -","2","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment.","The journal of physical chemistry. B","2006","110","5","2102","2107","10.1021/jp056052y","","","0.7107","MoKα","","","0.057","","","","0.183","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505726","7.827","0.0005","4.8647","0.0005","20.2212","0.0016","90","0.008","92.791","0.006","90","0.007","769.03","0.11","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","0.5","","Santos, Rui C.; Bernardes, Carlos E. S.; Diogo, Hermínio P; Piedade, M Fátima M; Canongia Lopes, José N; Minas da Piedade, Manuel E.","Energetics of the thermal dimerization of acenaphthylene to heptacyclene.","The journal of physical chemistry. A","2006","110","6","2299","2307","10.1021/jp056275o","","","1.5418","CuKα","","0.049","0.0367","","","0.0858","0.0909","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505727","4.892","0.005","4.892","0.005","11.002","0.012","90","","90","","120","","228","0.4","200","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- B F4 Li -","- B F4 Li -","- B3 F12 Li3 -","3","0.5","","Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris","Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4.","The journal of physical chemistry. B","2006","110","5","2138","2141","10.1021/jp0564795","","","0.71069","MoKα","","0.0413","0.0384","","","0.0882","0.0934","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505728","5.7128","0.0014","14.346","0.004","6.9722","0.0017","90","","97.468","0.003","90","","566.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co2 N8 O4 S4 -","- C16 H16 Co2 N8 O4 S4 -","- C16 H16 Co2 N8 O4 S4 -","1","0.25","","Shi, Jing-Min; Sun, You-Min; Zhang, Xia; Yi, Long; Cheng, Peng; Liu, Lian-Dong","Magnetic study on a two-dimensional coordination polymer with mixed bridging ligands.","The journal of physical chemistry. A","2006","110","24","7677","7681","10.1021/jp056487l","","","0.71073","MoKα","","0.036","0.0317","","","0.0771","0.0789","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505729","11.1557","0.0008","12.5428","0.0009","8.0282","0.0006","90","","97.45","0.001","90","","1113.85","0.14","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 -","- C15 H9 F0.96 -","- C60 H36 F3.84 -","4","1","","Wang, Xianlong; Mallory, Frank B.; Mallory, Clelia W.; Beckmann, Peter A.; Rheingold, Arnold L.; Francl, Michelle M.","CF3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations.","The journal of physical chemistry. A","2006","110","11","3954","3960","10.1021/jp056662y","","","0.71073","MoKα","","0.0492","0.0409","","","0.1181","0.1249","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505730","20.392","0.003","41.473","0.006","8.0801","0.0012","90","","90.08","0.003","90","","6833.5","1.7","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 S11 -","- C30 H32 S11 -","- C240 H256 S88 -","8","1","","Berridge, Rory; Skabara, Peter J.; Pozo-Gonzalo, Cristina; Kanibolotsky, Alexander; Lohr, Jan; McDouall, Joseph J. W.; McInnes, Eric J. L.; Wolowska, Joanna; Winder, Christoph; Sariciftci, N. Serdar; Harrington, Ross W.; Clegg, William","Incorporation of fused tetrathiafulvalenes (TTFs) into polythiophene architectures: varying the electroactive dominance of the TTF species in hybrid systems.","The journal of physical chemistry. B","2006","110","7","3140","3152","10.1021/jp057256h","","","0.686","synchrotron","","0.0972","0.0817","","","0.2215","0.2358","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505731","9.1848","0.0018","17.229","0.003","15.299","0.003","90","","92.8","0.03","90","","2418.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Y(H2O)8]Cl3*15-crown5","","","- C10 H36 Cl3 O13 Y -","- C10 H36 Cl3 O13 Y -","- C40 H144 Cl12 O52 Y4 -","4","1","","Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Eichhöfer, Andreas; Fanghänel, Thomas","Large ground-state and excited-state crystal field splitting of 8-fold-coordinate Cm3+ in [Y(H2O)8]Cl3.15-crown-5.","The journal of physical chemistry. B","2006","110","11","5279","5285","10.1021/jp0574100","","","0.71073","MoKα","","0.0641","0.0472","","","0.1209","0.1338","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505732","13.41","0.002","14.547","0.002","21.17","0.004","90","","103.798","0.003","90","","4010.6","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 F4 Ir N5 O3 P -","- C43 H43 F4 Ir N5 O3 P -","- C172 H172 F16 Ir4 N20 O12 P4 -","4","1","","Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon","Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes.","The journal of physical chemistry. B","2006","110","21","10303","10314","10.1021/jp057446s","","","0.71073","MoKα","","0.0623","0.0567","","","0.1247","0.1271","","","","","","1.219","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505733","9.707","0.0008","10.2082","0.0008","19.8603","0.0016","86.894","0.001","88.988","0.002","88.887","0.002","1964.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H41 F4 Ir N3 O5 P -","- C44 H41 F4 Ir N3 O5 P -","- C88 H82 F8 Ir2 N6 O10 P2 -","2","1","","Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon","Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes.","The journal of physical chemistry. B","2006","110","21","10303","10314","10.1021/jp057446s","","","0.71073","MoKα","","0.0203","0.0193","","","0.0481","0.0485","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505734","9.5714","0.0002","9.5714","0.0002","9.5714","0.0002","90","","90","","90","","876.85","0.03","100","2","100","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C12 H12 Cr -","- C12 H12 Cr -","- C48 H48 Cr4 -","4","0.166667","","Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu","Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.","The journal of physical chemistry. A","2006","110","20","6545","6551","10.1021/jp057516v","","","0.71073","MoKα","","0.0498","0.0295","","","0.0564","0.0751","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505735","33.46","0.01","8.032","0.002","48.84","0.01","90","","103.43","0.03","90","","12767","6","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O4 S6 -","- C34 H24 N2 O4 S6 -","- C544 H384 N32 O64 S96 -","16","2","","Jousselme, Bruno; Blanchard, Philippe; Allain, Magali; Levillain, Eric; Dias, Marylène; Roncali, Jean","Structural control of the electronic properties of photodynamic azobenzene-derivatized pi-conjugated oligothiophenes.","The journal of physical chemistry. A","2006","110","10","3488","3494","10.1021/jp060254s","","","0.71073","MoKα","","0.285","0.107","","0.477","","0.159","","","3.297","","","1.376","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505736","12.3542","0.0006","10.1592","0.0005","10.198","0.0005","90","","96.839","0.004","90","","1270.83","0.11","15","0.1","15","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.0373","0.034","","","0.0728","0.0742","","","","","","1.22","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505737","12.366","0.0007","10.1778","0.0005","10.2219","0.0006","90","","97.066","0.004","90","","1276.74","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.0244","0.0226","","","0.035","0.0355","","","","","","1.191","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505738","12.484","0.003","10.265","0.0015","10.3502","0.0013","90","","97.785","0.019","90","","1314.1","0.4","297","2","297","2","100","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1183","0.0553","","","0.0789","0.0944","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505739","12.2733","0.0016","10.1433","0.0006","10.081","0.0005","90","","96.782","0.009","90","","1246.22","0.19","297","2","297","2","550000","","550000","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.0942","0.0361","","","0.0492","0.0548","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505740","24.649","0.0012","10.0612","0.0005","10.121","0.0004","90","","107.349","0.007","90","","2395.8","0.2","297","2","297","2","1000000","","1000000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1315","0.0566","","","0.0732","0.0878","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505741","24.3137","0.0013","9.9272","0.0005","9.9246","0.0004","90","","107.205","0.007","90","","2288.3","0.2","297","2","297","2","2000000","","2000000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1583","0.0566","","","0.08","0.0937","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505742","24.0842","0.0016","9.797","0.0006","9.767","0.0004","90","","107.171","0.008","90","","2201.8","0.2","297","2","297","2","3100000","","3100000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1073","0.0565","","","0.0914","0.1049","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505743","23.969","0.003","9.7129","0.0012","9.6721","0.0008","90","","107.183","0.016","90","","2151.2","0.5","297","2","297","2","4000000","","4000000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1147","0.0597","","","0.1099","0.131","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505744","11.6887","","5.8139","","24.7151","","90","","101.838","","90","","1643.84","","","","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Ba0.5 Bi6 Mo2.5 O17 -","- Ba0.5 Bi6 Mo2.5 O17 -","- Ba2 Bi24 Mo10 O68 -","4","1","","Muktha, B.; Aarthi, T.; Madras, Giridhar; Guru Row, T. N.","Substitution effect on the photocatalytic degradation by the series AxBi26-xMo10O68+0.5y (A = Ba, y = 0; A = Bi, La, y = 2): a kinetic study.","The journal of physical chemistry. B","2006","110","21","10280","10286","10.1021/jp060945o","","","0.71073","MoKα","","0.0558","0.0558","","","0.1374","0.1374","","","","1.24","1.24","1.24","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505745","23.748","0.015","13.434","0.008","8.212","0.012","90","","75.34","0.09","90","","2535","4","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H28 Cs Li N2 O4 -","- C14 H28 Cs Li N2 O4 -","- C56 H112 Cs4 Li4 N8 O16 -","4","0.5","","Ichimura, Andrew S.; Huang, Rui H.; Xie, Qingshan; Morganelli, Philip; Burns, Amy; Dye, James L.","One-dimensional zigzag chains of Cs-: the structures and properties of Li+ (cryptand[2.1.1])Cs- and Cs+ (cryptand[2.2.2])Cs-.","The journal of physical chemistry. B","2006","110","25","12293","12301","10.1021/jp061200l","","","0.71069","MoKα","","0.1677","0.1194","","0.3558","0.3003","","","","1.028","1.131","1.131","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505746","8.823","0.003","13.007","0.005","14.424","0.006","81.912","0.006","80.385","0.006","74.07","0.007","1561.5","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H25.5 Mg N9.5 O -","- C39.5 H20.5 Mg N9.5 O -","- C79 H41 Mg2 N19 O2 -","2","1","","Wong, Alan; Ida, Ramsey; Mo, Xin; Gan, Zhehong; Poh, Jennifer; Wu, Gang","Solid-state 25Mg NMR spectroscopic and computational studies of organic compounds. square-pyramidal magnesium(II) ions in aqua(magnesium) phthalocyanine and chlorophyll a.","The journal of physical chemistry. A","2006","110","33","10084","10090","10.1021/jp061350w","","","0.71073","MoKα","","0.2174","0.0655","","","0.0931","0.1156","","","","","","0.778","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505747","18.1948","0.0002","11.14953","0.00009","11.13725","0.00009","90","","107.733","0.002","90","","2151.99","0.04","300","","300","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Endohedral metallofullerene","","- C89 H8 Sc3 -","- C65.65 H5.4 Sc1.959 -","- C131.3 H10.8 Sc3.918 -","2","0.5","","Nishibori, Eiji; Terauchi, Ikuya; Sakata, Makoto; Takata, Masaki; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori","High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction.","The journal of physical chemistry. B","2006","110","39","19215","19219","10.1021/jp061740i","powder diffraction","","1.00123","synchrotron","","","","","","","","","0.0436","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505748","10.3633","0.0007","14.4094","0.0009","13.5082","0.0007","90","","107.873","0.004","90","","1919.8","0.2","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cu N O2 -","- C22 H27 Cu N O2 -","- C88 H108 Cu4 N4 O8 -","4","1","","Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun","Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.","The journal of physical chemistry. B","2006","110","42","21365","21370","10.1021/jp061778v","","","0.7107","MoKα","","","0.048","","","","0.1186","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505749","18.972","0.001","14.075","0.001","15.806","0.001","90","","114.051","0.002","90","","3854.3","0.4","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cu N O3.5 -","- C19 H26 Cu N O3.5 -","- C152 H208 Cu8 N8 O28 -","8","1","","Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun","Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.","The journal of physical chemistry. B","2006","110","42","21365","21370","10.1021/jp061778v","","","0.7107","MoKα","","","0.0508","","","","0.1289","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505750","18.068","0.004","19.887","0.004","28.316","0.006","90","","90","","90","","10174","4","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Cl6 N6 O23 Pt3 Y2 -","- C36 H18 Cl6 N6 O23 Pt3 Y2 -","- C288 H144 Cl48 N48 O184 Pt24 Y16 -","8","1","","Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia","A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes.","The journal of physical chemistry. B","2006","110","43","21509","21520","10.1021/jp0634611","","","0.71073","MoKα","","0.1093","0.0611","","","0.104","0.1171","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505751","5.4867","0.0011","12.864","0.003","17.893","0.004","97.67","0.03","90.92","0.03","96","0.03","1244.2","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","","0.71073","MoKα","","0.2091","0.0646","","","0.0887","0.1086","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505752","13.6","0.003","18.604","0.004","5.675","0.0011","90","","90.36","0.03","90","","1435.8","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 -","- C38 H34 -","- C76 H68 -","2","0.5","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","","0.71073","MoKα","","0.1012","0.0491","","","0.1099","0.1293","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505753","9.9754","0.0005","10.8854","0.0009","25.8049","0.0017","90","","98.23","0.004","90","","2773.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","cis-DPDMSB","cis,cis-2,5-Diphenyl-1,4-di-p-methylstyrylbenzene","","- C36 H30 -","- C36 H30 -","- C144 H120 -","4","1","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","x-ray","0.71073","MoKα","","0.2105","0.0657","","","0.1272","0.1467","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505754","8.0544","0.0016","8.7247","0.0017","10.764","0.002","67.07","0.03","88.05","0.03","66.99","0.03","634.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 F4 -","- C34 H22 F4 -","- C34 H22 F4 -","1","0.5","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","","0.71073","MoKα","","0.1018","0.0496","","","0.1043","0.1314","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505755","23.4721","0.0008","10.2027","0.0004","25.5957","0.0008","90","","90","","90","","6129.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F6 N2 O6 S2 -","- C7 H12 F6 N2 O6 S2 -","- C112 H192 F96 N32 O96 S32 -","16","2","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.0474","0.04","","","0.0966","0.1007","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505756","8.2731","0.0006","13.0086","0.001","24.9865","0.0018","90","","95.181","0.003","90","","2678.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 F18 N7 O20 S6 -","- C26 H47 F18 N7 O20 S6 -","- C52 H94 F36 N14 O40 S12 -","2","0.5","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.1029","0.0631","","","0.1499","0.1674","","","","","","0.947","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505757","15.2183","0.0002","26.1383","0.0003","15.6211","0.0002","90","","117.554","0.001","90","","5508.97","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Cu3 F36 N14 O44 S12 -","- C52 H88 Cu3 F36 N14 O44 S12 -","- C104 H176 Cu6 F72 N28 O88 S24 -","2","0.5","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.063","0.0577","","","0.1576","0.1661","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505758","14.5423","0.0004","14.5866","0.0003","15.0399","0.0004","82.522","0.002","65.901","0.001","71.849","0.001","2767.31","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H88 Dy2 F36 N14 O44 S12 -","- C52 H88 Dy2 F36 N14 O44 S12 -","- C52 H88 Dy2 F36 N14 O44 S12 -","1","0.5","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.0413","0.0381","","","0.0929","0.0945","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505759","15.224","0.003","8.9383","0.0018","17.234","0.003","90","","114.36","0.03","90","","2136.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N3 O2 S -","- C44 H52 N6 O4 S2 -","- C88 H104 N12 O8 S4 -","2","0.5","","de Bettencourt-Dias, Ana; Poloukhtine, Andrei","Phenylthiophene-dipicolinic acid-based emitters with strong solution blue and solid state green emission.","The journal of physical chemistry. B","2006","110","51","25638","25645","10.1021/jp064812e","","","0.71073","MoKα","","0.1055","0.0575","","","0.1231","0.1436","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505760","6.8991","0.001","7.2227","0.0011","31.435","0.005","93.322","0.003","93.237","0.003","93.007","0.003","1558.8","0.4","183","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","2","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71073","MoKα","","0.1599","0.0807","","","0.2068","0.246","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505761","8.0445","0.0009","8.5236","0.0009","14.1707","0.0015","74.95","0.002","82.264","0.002","77.374","0.002","912.51","0.17","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71073","MoKα","","0.0726","0.0573","","","0.1614","0.1878","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505762","14.193","0.004","7.299","0.002","17.052","0.005","90","","95.895","0.005","90","","1757.2","0.9","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71069","MoKα","","0.1209","0.096","","","0.2503","0.2656","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505763","7.89","0.005","15.945","0.005","13.063","0.005","90","0.005","94.588","0.005","90","0.005","1638.1","1.3","140","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Cu N4 O11 S2 -","- C27 H36 Cu N4 O11 S2 -","- C54 H72 Cu2 N8 O22 S4 -","2","1","","Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi","Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.","The journal of physical chemistry. B","2006","110","51","25565","25567","10.1021/jp065438l","","","0.71069","MoKα","","0.0717","0.069","","","0.1841","0.1854","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505764","24.3572","0.0008","7.9688","0.0002","17.4501","0.0006","90","","105.172","0.001","90","","3268.97","0.18","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Cu2 N8 O22 S4 -","- C52 H72 Cu2 N8 O22 S4 -","- C104 H144 Cu4 N16 O44 S8 -","2","0.5","","Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi","Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.","The journal of physical chemistry. B","2006","110","51","25565","25567","10.1021/jp065438l","","","0.71073","MoKα","","0.0528","0.0468","","","0.1272","0.133","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505765","9.9059","0.0001","11.5257","0.0002","12.3039","0.0002","67.909","0.001","73.791","0.001","76.086","0.001","1235.32","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Er F18 O8 -","- C15 H7 Er F18 O8 -","- C30 H14 Er2 F36 O16 -","2","1","","Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.","Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.","The journal of physical chemistry. B","2006","110","48","24476","24479","10.1021/jp0654462","","","0.71073","MoKα","","0.0276","0.0265","","","0.067","0.0678","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505766","8.534","0.003","21.189","0.005","17.251","0.008","90","","90","","90","","3119","2","160","2","160","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H4 Cs Er F24 O8 -","- C20 H4 Cs Er F24 O8 -","- C80 H16 Cs4 Er4 F96 O32 -","4","0.5","","Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.","Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.","The journal of physical chemistry. B","2006","110","48","24476","24479","10.1021/jp0654462","","","0.71073","MoKα","","0.101","0.043","","","0.1044","0.1288","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505767","7.9022","0.0009","9.2228","0.001","24.589","0.003","90","","90","","90","","1792.1","0.4","100","0.1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O3 -","- C19 H28 N2 O3 -","- C76 H112 N8 O12 -","4","1","","Parrish, Damon; Zhurova, Elizabeth A.; Kirschbaum, Kristin; Pinkerton, A. Alan","Experimental Charge Density Study of Estrogens: 17β-Estradiol·Urea","The Journal of Physical Chemistry B","2006","110","51","26442","26447","10.1021/jp065638x","","","0.71073","MoKα","","","0.0168","","","","0.0142","","","","","","1.0955","","","","has coordinates","191009","2020-10-21","18:00:00",""
"1505768","10.6033","0.0009","11.4222","0.0009","16.0787","0.0013","90","","106.987","0.001","90","","1862.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 I3 N -","- C18 H12 I3 N -","- C72 H48 I12 N4 -","4","1","","Li, Zhen; Qin, Anjun; Lam, Jacky W. Y.; Dong, Yuping; Dong, Yongqiang; Ye, Cheng; Williams, Ian D.; Tang, Ben Zhong","Facile Synthesis, Large Optical Nonlinearity, and Excellent Thermal Stability of Hyperbranched Poly(aryleneethynylene)s Containing Azobenzene Chromophores","Macromolecules","2006","39","4","1436","","10.1021/ma051924f","","","0.71073","MoKα","","0.0464","0.0344","","","0.0813","0.0855","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505769","10.4158","0.0008","22.2961","0.0016","24.9796","0.0018","90","","90","","90","","5801.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 N2 O3 -","- C72 H60 N2 O3 -","- C288 H240 N8 O12 -","4","1","","Hasegawa, Takashi; Morino, Kazuhide; Tanaka, Yoshie; Katagiri, Hiroshi; Furusho, Yoshio; Yashima, Eiji","Temperature-Driven Switching of Helical Chirality of Poly[(4-carboxyphenyl)acetylene] Induced by a Single Amidine Enantiomer and Memory of the Diastereomeric Macromolecular Helicity","Macromolecules","2006","39","2","482","","10.1021/ma052206w","","","0.71073","MoKα","","0.0678","0.0553","","","0.1549","0.1666","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505770","16.6918","0.0008","20.6408","0.001","37.0204","0.0014","90","","90","","90","","12754.7","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C71 H85 Cl3 O4 -","- C71 H85 Cl3 O4 -","- C568 H680 Cl24 O32 -","8","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0757","0.056","","","0.1379","0.1519","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505771","14.411","0.0012","20.9556","0.0017","20.7622","0.0017","90","","102.285","0.003","90","","6126.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H84.5 Cl1.5 O4 -","- C70.5 H84.5 Cl1.5 O4 -","- C282 H338 Cl6 O16 -","4","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0996","0.0868","","","0.194","0.2","","","","","","1.215","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505772","10.0557","0.0005","14.983","0.0008","19.4748","0.0011","74.269","0.002","76.871","0.002","71.701","0.002","2648.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H72 O4 -","- C64 H72 O4 -","- C128 H144 O8 -","2","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0583","0.0491","","","0.1271","0.1361","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505773","5.7878","0.0006","10.102","0.001","24.868","0.002","90","","90","","90","","1454","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Fe -","- C20 H14 Fe -","- C80 H56 Fe4 -","4","1","","Li, Zhen; Lam, Jacky W. Y.; Dong, Yongqiang; Dong, Yuping; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Construction of Hyperbranched Polyphenylenes Containing Ferrocenyl Units by Alkyne Polycyclotrimerization","Macromolecules","2006","39","19","6458","","10.1021/ma0601823","","","0.71073","MoKα","","0.0418","0.0398","","","0.0937","0.0946","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505774","5.9199","0.0006","19.899","0.002","12.5255","0.0014","90","","100.921","0.002","90","","1448.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Fe -","- C20 H14 Fe -","- C80 H56 Fe4 -","4","1","","Li, Zhen; Lam, Jacky W. Y.; Dong, Yongqiang; Dong, Yuping; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Construction of Hyperbranched Polyphenylenes Containing Ferrocenyl Units by Alkyne Polycyclotrimerization","Macromolecules","2006","39","19","6458","","10.1021/ma0601823","","","0.71073","MoKα","","0.079","0.0509","","","0.1106","0.1198","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505775","25.007","0.006","10.41","0.003","17.682","0.004","90","","127.982","0.003","90","","3628.1","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Cl N2 O Zn -","- C17.5 H22.5 Cl N2 O Zn -","- C140 H180 Cl8 N16 O8 Zn8 -","8","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0595","0.0426","","","0.1256","0.1401","","","","","","0.959","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505776","11.326","0.001","14.2735","0.0013","21.298","0.002","90","","94.144","0.002","90","","3434.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Cl2 N4 O3 Zn2 -","- C30 H46 Cl2 N4 O3 Zn2 -","- C120 H184 Cl8 N16 O12 Zn8 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0965","0.0428","","","0.1167","0.1482","","","","","","0.79","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505777","11.466","0.005","14.302","0.007","21.437","0.01","90","","95.185","0.011","90","","3501","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 N4 O3 Zn2 -","- C30 H46 Br2 N4 O3 Zn2 -","- C120 H184 Br8 N16 O12 Zn8 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.1824","0.0754","","","0.1745","0.2195","","","","","","0.885","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505778","11.9948","0.0007","15.5672","0.0009","11.7767","0.0007","90","","97.869","0.001","90","","2178.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl3 N2 O2 Zn -","- C19 H23 Cl3 N2 O2 Zn -","- C76 H92 Cl12 N8 O8 Zn4 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0423","0.0328","","","0.1186","0.1292","","","","","","1.003","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505779","22.6716","0.0019","22.6716","0.0019","21.944","0.003","90","","90","","120","","9768.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22.33 H24.33 Cl N2 O2 Zn -","- C22.3333 H24.3333 Cl N2 O2 Zn -","- C402 H438 Cl18 N36 O36 Zn18 -","18","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0724","0.0517","","","0.1431","0.1622","","","","","","1.095","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505780","9.2428","0.0008","11.5764","0.001","11.4434","0.001","89.98","0.002","102.657","0.002","89.997","0.002","1194.67","0.18","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H28 Br2 N4 O2 Zn -","- C22 H28 Br2 N4 O2 Zn -","- C44 H56 Br4 N8 O4 Zn2 -","2","2","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0936","0.0581","","","0.1392","0.1602","","","","","","0.923","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505781","8.6783","0.0018","29.366","0.006","10.271","0.002","90","","100.885","0.005","90","","2570.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H41 N3 O2 Zn -","- C23 H41 N3 O2 Zn -","- C92 H164 N12 O8 Zn4 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","","10.1021/ma060471r","","","0.71073","MoKα","","0.1685","0.057","","","0.0951","0.1192","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505782","35.831","0.004","6.1603","0.0008","17.0632","0.0017","90","","90.397","0.008","90","","3766.3","0.7","183","2","183","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C40 H24.4 Cl7.6 O6 -","- C40 H24.4 Cl7.6 O6 -","- C160 H97.6 Cl30.4 O24 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Synthesis of a Catechol-Based Poly(ether ether ketone) (“o-PEEK”) by Classical Step-Growth Polymerization and by Entropically Driven Ring-Opening Polymerization of Macrocyclic Oligomers","Macromolecules","2006","39","19","6467","","10.1021/ma060885k","","","1.54178","CuKα","","0.0866","0.0579","","","0.148","0.1627","","","","","","1.024","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505783","24.637","0.005","14.6342","0.0007","17.525","0.003","90","","114.067","0.014","90","","5769.2","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H48 O12 -","- C76 H48 O12 -","- C304 H192 O48 -","4","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Synthesis of a Catechol-Based Poly(ether ether ketone) (“o-PEEK”) by Classical Step-Growth Polymerization and by Entropically Driven Ring-Opening Polymerization of Macrocyclic Oligomers","Macromolecules","2006","39","19","6467","","10.1021/ma060885k","","","1.54178","CuKα","","0.0678","0.0497","","","0.1259","0.1402","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505784","11.804","0.0001","12.783","0.0001","19.755","0.0002","90","","90.974","0.001","90","","2980.41","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl2 N4 O8 Ti -","- C25 H36 Cl2 N4 O8 Ti -","- C100 H144 Cl8 N16 O32 Ti4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0536","0.0472","","","0.1265","0.1313","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505785","25.548","0.0001","25.548","0.0001","18.319","0.0001","90","","90","","90","","11956.8","0.09","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H40 N2 O4 Ti -","- C30 H40 N2 O4 Ti -","- C480 H640 N32 O64 Ti16 -","16","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0621","0.0484","","","0.1287","0.1476","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505786","13.33","0.0003","18.809","0.0004","18.947","0.0004","102.409","0.001","101.825","0.001","105.297","0.001","4299.09","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H135 N4 O8 Ti2 -","- C87 H135 N4 O8 Ti2 -","- C174 H270 N8 O16 Ti4 -","2","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.1444","0.0992","","","0.1698","0.1849","","","","","","1.175","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505787","14.585","0.0002","14.293","0.0002","15.668","0.0002","90","","109.707","0.001","90","","3074.9","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 O4 Zr -","- C30 H40 N2 O4 Zr -","- C120 H160 N8 O16 Zr4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0915","0.0741","","","0.2152","0.2343","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505788","11.079","0.0001","20.281","0.0002","18.947","0.0002","90","","97.383","0.001","90","","4221.97","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 Zr -","- C42 H64 N2 O4 Zr -","- C168 H256 N8 O16 Zr4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0728","0.0501","","","0.0905","0.0976","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505789","11.1038","0.0002","20.2199","0.0003","18.9272","0.0003","90","","97.343","0.001","90","","4214.64","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Hf N2 O4 -","- C42 H64 Hf N2 O4 -","- C168 H256 Hf4 N8 O16 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0649","0.0323","","","0.0618","0.0692","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505790","12.593","0.0002","9.041","0.0001","36.256","0.0006","90","","90","","90","","4127.87","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C192 H224 N16 O16 -","8","2","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.1141","0.0495","","","0.1044","0.1247","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505791","11.714","0.001","18.289","0.001","20.855","0.001","90","","90","","90","","4467.9","0.5","173","","173","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 Al2 Nd O3 -","- C42 H69 Al2 Nd O3 -","- C168 H276 Al8 Nd4 O12 -","4","1","","Fischbach, Andreas; Meermann, Christian; Eickerling, Georg; Scherer, Wolfgang; Anwander, Reiner","Discrete Lanthanide Aryl(alk)oxide Trimethylaluminum Adducts as Isoprene Polymerization Catalysts","Macromolecules","2006","39","20","6811","","10.1021/ma061149j","","","0.56087","AgKα","","0.0557","0.0436","","","0.0759","0.0795","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505792","10.353","0.0006","16.3085","0.001","21.7857","0.0013","83.888","0.001","80.796","0.001","76.109","0.001","3515.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H48 Al2 F30 O5 Zr -","- C76 H48 Al2 F30 O5 Zr -","- C152 H96 Al4 F60 O10 Zr2 -","2","1","","Ning, Yalan; Chen, Eugene Y.-X.","Diastereospecific Ion-Pairing Polymerization of Functionalized Alkenes by Metallocene/Lewis Acid Hybrid Catalysts","Macromolecules","2006","39","21","7204","","10.1021/ma061687w","","","0.71073","MoKα","","0.1276","0.0529","","","0.0878","0.1078","","","","","","0.867","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505793","25.502","0.003","7.851","0.001","16.882","0.003","90","","102.4","0.01","90","","3301.2","0.8","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Cl2 N2 O2 Zr -","- C32 H44 Cl2 N2 O2 Zr -","- C128 H176 Cl8 N8 O8 Zr4 -","4","0.5","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","0.0286","0.0286","","","0.0292","0.0292","","","","","","1.897","","","","has coordinates","134271","2020-10-21","18:00:00",""
"1505794","23.367","0.002","23.367","0.002","14.368","0.002","90","","90","","90","","7845.2","1.4","233.2","","233.2","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C34 H48 Cl2 N2 O2 Zr -","- C34 H48 Cl2 N2 O2 Zr -","- C272 H384 Cl16 N16 O16 Zr8 -","8","0.5","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","0.0726","0.0726","","","0.1214","0.1214","","","","","","1.167","","","","has coordinates","134271","2020-10-21","18:00:00",""
"1505795","17.131","0.004","22.418","0.005","15.14","0.003","93.28","0.02","92.61","0.02","72.34","0.02","5529","2","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H158 Cl4 N4 O5 Zr2 -","- C124 H144 Cl4 N4 O5 Zr2 -","- C248 H288 Cl8 N8 O10 Zr4 -","2","1","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","","0.059","","","","0.17","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505796","7.477","0.0015","11.075","0.002","33.972","0.007","90","","90","","90","","2813.1","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","14-benzyl-6,11-dihydroxy-5,7,13-trimethyl-12-methylene- 5,6,7,8,10a,11,12,13,13a,14,15,16-dodecahydro-2H- oxacyclododecino[2,3-d]isoindole-2,16-dione","","- C29 H38 N O6 -","- C29 H38 N O6 -","- C116 H152 N4 O24 -","4","1","","Liu, Rui; Gu, Qianqun; Zhu, Weiming; Cui, Chengbin; Fan, Guotao; Fang, Yuchun; Zhu, Tianjiao; Liu, Hongbing","10-Phenyl-[12]-cytochalasins Z7, Z8, and Z9 from the marine-derived fungus Spicaria elegans.","Journal of natural products","2006","69","6","871","875","10.1021/np050201m","","","0.71073","MoKα","","0.0832","0.081","","","0.1092","0.1119","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505797","6.8007","0.0007","11.2573","0.0011","24.747","0.002","90","","90","","90","","1894.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Zhang, Hua; Yang, Sheng-Ping; Fan, Cheng-Qi; Ding, Jian; Yue, Jian-Min","Daphniyunnines A-E, alkaloids from Daphniphyllum yunnanense.","Journal of natural products","2006","69","4","553","557","10.1021/np050490e","","","0.71073","MoKα","","0.064","0.0502","","","0.1012","0.1066","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505798","6.382","0.002","19.008","0.007","20.534","0.008","90","","90","","90","","2491","1.5","93","1","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O8 -","- C28 H29 Br O8 -","- C112 H116 Br4 O32 -","4","1","","Tidgewell, Kevin; Harding, Wayne W.; Lozama, Anthony; Cobb, Howard; Shah, Kushal; Kannan, Pavitra; Dersch, Christina M.; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthesis of salvinorin A analogues as opioid receptor probes.","Journal of natural products","2006","69","6","914","918","10.1021/np060094b","","","0.71073","MoKα","","0.2137","0.0685","","","0.096","0.1311","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505799","7.913","0.0016","9.484","0.0019","26.271","0.005","90","","90","","90","","1971.6","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(1S,3S,10S,14S,18S)-20-hydroxy-18- (hydroxymethyl)-14-methyl-12-azahexacyclo [10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C92 H140 N4 O16 -","4","1","","Mu, Shu-Zhen; Wang, Ye; He, Hong-Ping; Yang, Xian-Wen; Wang, Yue-Hu; Di, Ying-Tong; Lu, Yang; Chang, Ying; Hao, Xiao-Jiang","Daphnioldhanins A-C, alkaloids from Daphniphyllum oldhami","Journal of natural products","2006","69","7","1065","1069","10.1021/np060131z","","","0.71073","MoKα","","0.0749","0.0749","","","0.1806","0.1806","","","","","","1.39","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505800","7.3291","0.0002","14.1613","0.0006","15.2631","0.0007","108.199","0.002","101.926","0.002","98.204","0.002","1435.36","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","{5-[(2,4-Dinitro-phenyl)-hydrazono]-2-methyl-cyclopent-1-enyl}-methanol","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","2","","Chomcheon, Porntep; Sriubolmas, Nongluksna; Wiyakrutta, Suthep; Ngamrojanavanich, Nattaya; Chaichit, Narongsak; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.","Journal of natural products","2006","69","9","1351","1353","10.1021/np060148h","","","0.71073","MoKα","","0.2672","0.0831","","","0.2112","0.2951","","","","","","0.911","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505801","6.2085","0.0012","9.7196","0.0019","15.606","0.003","90","","95.4","0.03","90","","937.6","0.3","293","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Huang, Ho-Cheng; Ahmed, Atallah F.; Su, Jui-Hsin; Chao, Chih-Hua; Wu, Yang-Chang; Chiang, Michael Y.; Sheu, Jyh-Horng","Crassolides A-F, cembranoids with a trans-fused lactone from the soft coral Sarcophyton crassocaule.","Journal of natural products","2006","69","11","1554","1559","10.1021/np060182w","","","0.71073","MoKα","","0.0923","0.0412","","","0.1004","0.1199","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505802","24.2636","0.0009","8.0884","0.0005","9.3582","0.0006","90","","104.802","0.004","90","","1775.63","0.17","183","2","183","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Hölscher, Dirk; Reichert, Matthias; Görls, Hilmar; Ohlenschläger, Oliver; Bringmann, Gerhard; Schneider, Bernd","Monolaterol, the first configurationally assigned phenylphenalenone derivative with a stereogenic center at C-9, from Monochoria elata.","Journal of natural products","2006","69","11","1614","1617","10.1021/np060192x","","","0.71073","MoKα","","0.0765","0.0495","","","0.1003","0.1136","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1505803","6.564","0.0002","15.654","0.0006","16.701","0.0006","94.618","0.0005","92.568","0.0005","100.754","0.0005","1677.32","0.1","100","","","","","","","","","","Local laboratory","4","P 1","P 1","1","","","","- C36 H38 N2 O10 -","- C36 H38 N2 O10 -","- C72 H76 N4 O20 -","2","2","","Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori","Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum.","Journal of natural products","2006","69","8","1198","1202","10.1021/np0602057","","","0.71073","MoKα","","0.1049","0.0869","","","0.2313","0.252","","","","","","1.027","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505804","12.911","0.008","7.138","0.005","15.565","0.009","90","","92.7","0.02","90","","1432.9","1.6","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O5 -","- C30 H50 O5 -","- C60 H100 O10 -","2","1","","Grougnet, Raphaël; Magiatis, Prokopios; Mitaku, Sofia; Loizou, Stella; Moutsatsou, Paraskevi; Terzis, Aris; Cabalion, Pierre; Tillequin, François; Michel, Sylvie","seco-Cycloartane triterpenes from Gardenia aubryi.","Journal of natural products","2006","69","12","1711","1714","10.1021/np060273t","","","1.5418","CuKα","","0.0686","0.0534","","","0.1361","0.1513","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505805","9.7649","0.0009","4.8852","0.0003","11.8369","0.0011","90","","99.31","0.003","90","","557.22","0.08","298","","","","","","","","","","Natural Product","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0441","0.0375","","","0.0928","0.0986","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505806","6.0723","0.0004","12.0285","0.0006","25.741","0.002","90","","90","","90","","1880.1","0.2","298","","","","","","","","","","natural Product","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0763","0.0505","","","0.1055","0.1175","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505807","8.978","0.0013","8.978","0.0013","33.622","0.002","90","","90","","120","","2347","0.5","296","1","296","1","","","","","","","","3","P 32","P 32","145","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C90 H120 O39 -","3","1","","Zhao, Yu; Wang, Fu-Sheng; Peng, Li-Yan; Li, Xiao-Li; Xu, Gang; Luo, Xiao-Xin; Lu, Yang; Wu, Li; Zheng, Qi-Tai; Zhao, Qin-Shi","Taxoids from Taxus chinensis.","Journal of natural products","2006","69","12","1813","1815","10.1021/np060345g","","","0.71073","MoKα","","0.067","0.0626","","","0.214","0.2191","","","","","","1.197","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505808","12.3702","0.0012","8.451","0.0009","19.563","0.002","90","","90","","90","","2045.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Suárez-Castillo, Oscar R; Beiza-Granados, Lidia; Meléndez-Rodríguez, Myriam; Alvarez-Hernández, Alejandro; Morales-Ríos, Martha S; Joseph-Nathan, Pedro","Synthesis of bromoindole alkaloids from Laurencia brongniartii.","Journal of natural products","2006","69","11","1596","1600","10.1021/np060406a","","","0.71073","MoKα","","0.0752","0.0291","","","0.0568","0.0647","","","","","","0.843","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505809","7.981","0.001","22.703","0.004","11.227","0.002","90","","92.995","0.003","90","","2031.5","0.6","163.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 I N O5 -","- C19 H24 I N O5 -","- C76 H96 I4 N4 O20 -","4","1","","Grundl, Marc A.; Trauner, Dirk","Synthetic studies toward the haouamines.","Organic letters","2006","8","1","23","25","10.1021/ol052262h","","","0.7107","MoKα","","0.0637","0.0338","","0.0421","","0.0369","","","","","","1.312","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505810","32.3106","0.0008","12.0276","0.0003","12.5523","0.0003","90","","90","","90","","4878.1","0.2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H26 O2 P2 -","- C31 H26 O2 P2 -","- C248 H208 O16 P16 -","8","0.5","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0305","0.0296","","","0.0722","0.0727","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505811","9.015","0.006","9.235","0.006","32.8","0.02","90","","90","","90","","2731","3","100","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B2 P2 -","- C31 H36 B2 P2 -","- C124 H144 B8 P8 -","4","1","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0629","0.0484","","","0.1002","0.1041","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505812","12.41","0.0012","12.8373","0.0012","25.498","0.002","90","","92.49","0.002","90","","4058.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Cl12 N2 O16 -","- C76 H86 Cl12 N2 O16 -","- C152 H172 Cl24 N4 O32 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1314","0.0873","","","0.2583","0.307","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505813","15.303","0.002","16.558","0.002","19.187","0.003","90","","97.376","0.002","90","","4821.5","1.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C171 H205 Cl2 F24 N5 O34 P4 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1912","0.0996","","","0.2858","0.3641","","","","","","1.106","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505814","13.944","0.003","14.295","0.004","15.3","0.004","82.786","0.005","66.607","0.004","63.871","0.004","2508.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","1","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.2023","0.1113","","","0.325","0.3954","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505815","7.3574","0.0015","15.976","0.003","16.707","0.003","90","","90","","90","","1963.8","0.6","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B Fe N O P -","- C20 H25 B Fe N O P -","- C80 H100 B4 Fe4 N4 O4 P4 -","4","1","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0672","0.0351","","","0.0469","0.0517","","","","","","0.76","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505816","11.2546","0.0012","7.2839","0.0008","23.607","0.003","90","","102.734","0.002","90","","1887.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Fe N O2 P -","- C21 H24 Fe N O2 P -","- C84 H96 Fe4 N4 O8 P4 -","4","2","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0484","0.0421","","","0.0892","0.0911","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505817","19.286","0.002","8.198","0.002","12.114","0.002","90","","98.967","0.01","90","","1891.9","0.6","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 N2 O5 S -","- C18 H24 N2 O5 S -","- C72 H96 N8 O20 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0484","","","","0.0609","","","","","","1.706","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505818","26.507","0.007","18.459","0.003","12.035","0.002","90","","106.22","0.02","90","","5654","2","298.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 O7 S -","- C24 H29 N2 O7 S -","- C192 H232 N16 O56 S8 -","8","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0751","","","","0.1294","","","","","","1.97","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505819","11.972","0.002","12.187","0.003","17.556","0.003","90","","90","","90","","2561.5","0.9","298.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H32 N2 O7 S -","- C25 H32 N2 O7 S -","- C100 H128 N8 O28 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0407","","","","0.0514","","","","","","1.377","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505820","8.0158","0.0016","6.5155","0.0013","26.09","0.005","90","","90.072","0.003","90","","1362.6","0.5","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Munegumi, Takeshi; Azumaya, Isao; Kato, Takako; Masu, Hyuma; Saito, Shinichi","[3+2] cross-coupling reactions of aziridines with isocyanates catalyzed by nickel(II) iodide.","Organic letters","2006","8","3","379","382","10.1021/ol052417l","","","0.71073","MoKα","","0.0876","0.0394","","","0.0825","0.0895","","","","","","0.712","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505821","14.16","0.01","9.62","0.01","22.15","0.01","90","","92","0.05","90","","3015","4","293.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 F12 N6 O8 S4 -","- C17 H18 F12 N6 O8 S4 -","- C68 H72 F48 N24 O32 S16 -","4","0.5","","Patil, Mahesh L.; Rao, C. V. Laxman; Yonezawa, Kohji; Takizawa, Shinobu; Onitsuka, Kiyotaka; Sasai, Hiroaki","Design and synthesis of novel chiral spiro ionic liquids.","Organic letters","2006","8","2","227","230","10.1021/ol052466y","","","0.7107","MoKα","","","0.0652","","","","0.1796","","","","","","2.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505822","11.681","0.005","19.082","0.009","6.506","0.002","90","","90","","90","","1450.2","1","253","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O S2 -","- C15 H24 O S2 -","- C60 H96 O4 S8 -","4","1","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","1.54178","CuKα","","0.052","0.0516","","","0.1351","0.1355","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505823","11.504","0.0009","13.877","0.0012","19.44","0.002","90","","111.041","0.004","90","","2896.5","0.5","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 S2 -","- C15 H24 O2 S2 -","- C120 H192 O16 S16 -","8","2","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","0.71073","MoKα","","0.1755","0.0968","","","0.2123","0.241","","","","","","1.035","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505824","26.119","0.003","11.3717","0.0013","25.521","0.003","90","","100.205","0.002","90","","7460.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound6","chloro(2,6-dichloropyrimidin-4-yl)bis(triphenylphosphoranyl)palladium","","- C40 H31 Cl3 N2 P2 Pd -","- C40 H31 Cl3 N2 P2 Pd -","- C320 H248 Cl24 N16 P16 Pd8 -","8","2","","Peng, Zhi-Hui; Journet, Michel; Humphrey, Guy","A highly regioselective amination of 6-aryl-2,4-dichloropyrimidine.","Organic letters","2006","8","3","395","398","10.1021/ol052578p","","","0.71073","MoKα","","0.1119","0.0552","","","0.1054","0.1252","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505825","7.9843","0.0001","13.9102","0.0002","15.4291","0.0002","90","","91.059","0.001","90","","1713.31","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclopentylphosphorinane","","","- C14 H28 B F4 P -","- C14 H28 B F4 P -","- C56 H112 B4 F16 P4 -","4","2","","Brenstrum, Tim; Clattenburg, Julie; Britten, James; Zavorine, Serguei; Dyck, Jeff; Robertson, Alan J.; McNulty, James; Capretta, Alfredo","Phosphorinanes as ligands for palladium-catalyzed cross-coupling chemistry.","Organic letters","2006","8","1","103","105","10.1021/ol052579h","","","1.54178","CuKα","","0.0591","0.0571","","","0.1632","0.1679","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505826","13.991","0.003","13.811","0.003","32.54","0.007","90","","102.17","0.03","90","","6146","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 O12 -","- C87 H54 O12 -","- C348 H216 O48 -","4","1","","Huang, Shaohua; Wang, Fudong; Gan, Liangbing; Yuan, Gu; Zhou, Jiang; Zhang, Shiwei","Preparation of fullerendione through oxidation of vicinal fullerendiol and intramolecular coupling of the dione to form hemiketal/ketal moieties.","Organic letters","2006","8","2","277","279","10.1021/ol052602z","","","0.71073","MoKα","","0.1562","0.0719","","","0.172","0.1975","","","","","","1.011","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1505827","10.73","0.01","12.94","0.02","16.36","0.02","90","","93.7","0.06","90","","2267","5","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Kusama, Hiroyuki; Miyashita, Yuichi; Takaya, Jun; Iwasawa, Nobuharu","Pt(II)- or Au(III)-catalyzed [3+2] cycloaddition of metal-containing azomethine ylides: highly efficient synthesis of the mitosene skeleton.","Organic letters","2006","8","2","289","292","10.1021/ol052610f","","","0.7107","MoKα","","","0.0564","","","","0.1899","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505828","10.055","0.002","14.345","0.003","15.008","0.003","90","","102.79","0.03","90","","2111","0.8","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 S -","- C22 H30 O5 S -","- C88 H120 O20 S4 -","4","1","","Liu, Haibo; Siegel, Dionicio R.; Danishefsky, Samuel J.","Studies directed toward the synthesis of terreulactone A: rapid construction of the A, B, C rings.","Organic letters","2006","8","3","423","425","10.1021/ol052618p","","","0.71073","MoKα","","0.1066","0.0551","","","0.1068","0.1236","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505829","9.6531","0.001","10.8282","0.0011","18.872","0.002","90","","101.196","0.002","90","","1935.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Liu, Yanqin; Luo, Shengjun; Fu, Xingnian; Fang, Fang; Zhuang, Zeyang; Xiong, Wanting; Jia, Xueshun; Zhai, Hongbin","Facile construction of the pentacyclic framework of subincanadine B. Synthesis of 20-deethylenylated subincanadine B and 19,20-dihydrosubincanadine B.","Organic letters","2006","8","1","115","118","10.1021/ol0526367","","","0.71073","MoKα","","0.0828","0.0577","","","0.1459","0.159","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505830","8.5858","0.0006","11.5065","0.0008","11.7576","0.0008","72.062","0.001","82.806","0.001","72.604","0.001","1053.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O2 S -","- C25 H24 O2 S -","- C50 H48 O4 S2 -","2","1","","Xie, Meihua; Wang, Jialiang; Gu, Xiaoxia; Sun, Ying; Wang, Shaowu","Highly regio- and stereoselective synthesis of tetrasubstituted olefins by the three-component tandem reaction of allylzinc bromide, acetylenic sulfone, and halohydrocarbon.","Organic letters","2006","8","3","431","434","10.1021/ol052640i","","","0.71073","MoKα","","0.0791","0.0744","","","0.1852","0.1898","","","","","","1.153","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505831","7.1616","0.0005","13.2625","0.0011","13.4547","0.0011","94.215","0.003","100.102","0.003","96.192","0.003","1245.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0648","0.0483","","","0.125","0.1368","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505832","4.9461","0.0015","9.748","0.003","28.705","0.009","92.905","0.009","93.547","0.009","92.621","0.009","1377.9","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C68 H80 F8 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0792","0.0621","","","0.1483","0.1568","","","","","","1.103","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505833","7.547","0.003","11.965","0.006","14.843","0.007","79.33","0.012","82.968","0.012","79.947","0.012","1291.3","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1363","0.0751","","","0.204","0.2491","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505834","7.9507","0.0013","16.883","0.003","22.692","0.004","107.104","0.005","99.04","0.005","102.78","0.005","2757.3","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C136 H160 F16 -","4","2","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1291","0.0534","","","0.1028","0.1275","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505835","13.282","0.0003","14.2815","0.0003","18.9888","0.0005","90","","102.049","0.001","90","","3522.57","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F6 N2 O8 P -","- C31 H42 F6 N2 O8 P -","- C124 H168 F24 N8 O32 P4 -","4","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1736","0.1282","","","0.3755","0.4177","","","","","","1.575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505836","13.6759","0.0003","15.5595","0.0003","17.7584","0.0004","92","0.001","91.004","0.0012","110.722","0.0011","3530.4","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 F12 N2 O7 P2 -","- C67 H88 F12 N2 O7 P2 -","- C134 H176 F24 N4 O14 P4 -","2","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1853","0.1145","","","0.3132","0.3903","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505837","16.1963","0.0018","17.0849","0.0019","16.26","0.0018","90","","99.234","0.002","90","","4441","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tert-Butyl 2-(3-(benzylsulfonyl)-1-methyl-2-oxo-1,2,3,4,- tetrahydroquinolin-4-yl)acetate","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0645","0.0474","","","0.122","0.1315","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505838","17.2061","0.0008","16.3253","0.0008","16.2379","0.0008","90","","102.691","0.001","90","","4449.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 F2 N O5 S -","- C23 H25 F2 N O5 S -","- C184 H200 F16 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.039","0.0339","","","0.0896","0.0935","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505839","14.9879","0.0017","13.5965","0.0016","8.7184","0.001","90","","95.95","0.002","90","","1767.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0658","0.0446","","","0.1063","0.1167","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505840","10.8283","0.0013","11.0456","0.0013","12.277","0.002","103.161","0.002","113.007","0.002","103.923","0.001","1223.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C52 H62 N2 O10 S2 -","2","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0641","0.0395","","","0.0798","0.0851","","","","","","0.879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505841","7.873","0.002","8.231","0.002","18.935","0.005","90","","90","","90","","1227","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-2-yl)adenine","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","","Alibés, Ramon; Alvárez-Larena, Angel; de March, Pedro; Figueredo, Marta; Font, Josep; Parella, Teodor; Rustullet, Albert","Synthesis and conformational analysis of new cyclobutane-fused nucleosides.","Organic letters","2006","8","3","491","494","10.1021/ol052794y","","","0.71069","MoKα","","0.0348","0.0291","","","0.0752","0.0762","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505842","10.9949","0.0013","8.8953","0.0011","21.764","0.003","90","","95.626","0.003","90","","2118.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C92 H108 N4 O8 S4 -","4","1","","Lu, Lianghua; Chen, Guofei; Ma, Shengming","Ring-opening cyclization of alkylidenecyclopropyl ketones with amines. An efficient synthesis of 2,3,4-trisubstituted pyrroles.","Organic letters","2006","8","5","835","838","10.1021/ol052797a","","","0.71073","MoKα","","0.1469","0.0535","","","0.0943","0.1181","","","","","","0.8","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505843","7.7125","0.0008","5.1434","0.0005","11.7032","0.0011","90","","102.305","0.003","90","","453.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C20 H22 Br2 O2 -","2","1","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0455","0.0413","","","0.099","0.1007","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505844","23.7316","0.0016","6.1829","0.0004","15.0644","0.0011","90","","103.579","0.002","90","","2148.6","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H11 Br O -","- C6 H11 Br O -","- C72 H132 Br12 O12 -","12","3","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0463","0.0307","","","0.0636","0.0692","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505845","15.469","0.0017","7.263","0.003","22.129","0.007","90","","90","0.006","90","","2486.2","1.3","268","2","268","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2741","0.1036","","","0.1515","0.2154","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505846","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505847","10.3385","0.0017","15.144","0.003","9.3743","0.0015","90","","109.245","0.003","90","","1385.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.0791","0.0638","","","0.1432","0.1511","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505848","10.372","0.003","10.387","0.003","17.53","0.005","90","","98.978","0.005","90","","1865.4","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.1141","0.069","","","0.1968","0.2551","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505849","20.9715","0.0016","39.437","0.003","13.8177","0.001","90","","90","","90","","11428","1.5","90","","90","","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C428 H362 Ag4 Cl38 F30 N16 O38 P16 Ru8 S10 -","4","1","","Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke","""Achiral"" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.","Organic letters","2006","8","8","1517","1519","10.1021/ol052936o","","","0.71073","MoKα","","0.0821","0.0754","","","0.2099","0.2145","","","","","","1.145","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505850","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505851","5.814","0.001","13.696","0.002","16.114","0.002","90","","95.25","0.01","90","","1277.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0814","0.0394","","","0.074","0.0812","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505852","4.5846","0.0005","11.1492","0.0013","30.445","0.004","90","","90","","90","","1556.2","0.3","568","2","568","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.","Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.","Organic letters","2006","8","6","1061","1064","10.1021/ol052963e","","","0.71073","MoKα","","0.0891","0.0453","","","0.095","0.1102","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505853","12.3888","0.0007","12.427","0.0007","12.5757","0.0007","69.343","0.001","60.607","0.001","61.71","0.001","1467.06","0.14","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","1","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.0576","0.0522","","","0.1494","0.156","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505854","38.747","0.002","13.9582","0.0008","15.0445","0.0009","90","","90","","90","","8136.6","0.8","150","1","150","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C76 H126 N4 Si6 -","- C76 H126 N4 Si6 -","- C304 H504 N16 Si24 -","4","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.1113","0.0906","","","0.2179","0.235","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505855","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1934","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505856","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505857","16.371","0.003","7.3063","0.0012","17.618","0.003","90","","108.702","0.008","90","","1996","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C88 H76 Cr4 N4 O20 -","4","1","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.0993","0.0544","","","0.1279","0.1452","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505858","7.0987","0.0012","43.266","0.007","10.568","0.0018","90","","91.741","0.003","90","","3244.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 N2 O4 -","- C30 H62 N2 O4 -","- C120 H248 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1088","0.0615","","","0.1412","0.1634","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505859","7.0712","0.0005","45.852","0.003","10.6972","0.0007","90","","91.535","0.001","90","","3467.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 N2 O4 -","- C32 H66 N2 O4 -","- C128 H264 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1312","0.071","","","0.1457","0.1693","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505860","10.5447","0.0011","13.6428","0.0015","29.18","0.003","90","","99.866","0.002","90","","4135.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O8 -","- C36 H76 N4 O8 -","- C144 H304 N16 O32 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1061","0.0642","","","0.1407","0.158","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505861","10.7741","0.0007","12.4712","0.0008","14.9297","0.001","68.438","0.001","71.439","0.001","68.545","0.001","1696.74","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 N4 O8 -","- C32 H60 N3.956 O8 -","- C64 H120 N7.912 O16 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.058","0.0532","","","0.1339","0.1386","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505862","30.215","0.002","15.4057","0.0011","26.0418","0.0018","90","","110.101","0.001","90","","11383.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H204 N12 O24 -","- C108 H204 N12 O24 -","- C432 H816 N48 O96 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.0587","0.0526","","","0.1439","0.1482","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505863","15.069","0.003","24.79","0.006","25.46","0.006","114.553","0.004","91.187","0.004","102.178","0.005","8393","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 F12 N2 O16 P2 -","- C70 H84 F12 N2 O16 P2 -","- C280 H336 F48 N8 O64 P8 -","4","2","","Han, Tao; Chen, Chuan-Feng","A triptycene-based bis(crown ether) host: complexation with both paraquat derivatives and dibenzylammonium salts.","Organic letters","2006","8","6","1069","1072","10.1021/ol053008s","","","0.71073","MoKα","","0.2435","0.1056","","","0.2819","0.321","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505864","8.3528","0.0017","11.293","0.002","27.476","0.006","89.93","0.03","89.86","0.03","73.88","0.03","2489.9","0.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Bicyclo[1.1.1]pentane-1,2,3,4-tetracarboxylic acid 2,4-dimethyl ester","","- C11 H12 O8 -","- C11 H12 O8 -","- C88 H96 O64 -","8","4","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0973","0.045","","","0.1049","0.1157","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505865","25.89","0.005","9.1958","0.0018","11.305","0.002","90","","97.94","0.03","90","","2665.7","0.9","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid","","- C30 H31 N2 O6 -","- C30 H31 N2 O6 -","- C120 H124 N8 O24 -","4","1","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0925","0.0386","","","0.0495","0.0616","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505866","13.9598","0.0005","25.6067","0.0008","14.3176","0.0005","90","","114.59","0.0013","90","","4653.9","0.3","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Si3 -","- C57 H48 Si3 -","- C228 H192 Si12 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.0629","0.0571","","0.0725","0.0671","0.0671","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505867","12.1176","0.0005","15.0945","0.0006","18.9522","0.0006","90","","99.5309","0.0012","90","","3418.7","0.2","120","","120","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 -","- C50 H40 -","- C200 H160 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.1297","0.0502","","0.0572","0.0551","0.0551","","","","","","1.1498","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505868","18.5614","0.0003","34.2968","0.0008","10.4254","0.0002","90","","107.776","0.001","90","","6319.9","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Richards","","- C42 H36 Co N2 O0.5 -","- C42 H36 Co N2 O0.5 -","- C336 H288 Co8 N16 O4 -","8","1","","Nguyen, Huy V.; Butler, David C. D.; Richards, Christopher J.","A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.","Organic letters","2006","8","4","769","772","10.1021/ol053050n","","","0.71073","MoKα","","0.0605","0.0385","","","0.088","0.0971","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505869","8.3022","0.0007","14.6332","0.0012","26.376","0.002","90","","90","","90","","3204.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05294","","","- C36 H45 N O4 Si -","- C36 H45 N O4 Si -","- C144 H180 N4 O16 Si4 -","4","1","","Swidorski, Jacob J.; Wang, Jiashi; Hsung, Richard P.","A concise total synthesis of (-)-cylindricine C through a stereoselective intramolecular aza-[3 + 3] annulation strategy.","Organic letters","2006","8","4","777","780","10.1021/ol053059p","","","0.71073","MoKα","","0.0694","0.0399","","","0.0831","0.0971","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505870","7.7874","0.0007","9.2435","0.0009","9.3529","0.0009","108.87","0.002","107.825","0.002","95.669","0.002","591.68","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H34 -","- C30 H34 -","- C30 H34 -","1","0.5","","Cui, Weibin; Zhang, Xiaojie; Jiang, Xiaoxia; Tian, Hongkun; Yan, Donghang; Geng, Yanhou; Jing, Xiabin; Wang, Fosong","Synthesis and characterization of soluble oligo (9,10-bisalkynylanthrylene)s.","Organic letters","2006","8","4","785","788","10.1021/ol0530777","","","0.71073","MoKα","","0.0639","0.0503","","","0.1439","0.1598","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505871","7.8294","0.0013","11.3508","0.0015","11.6799","0.0005","104.494","0.005","91.16","0.008","101.957","0.012","980.3","0.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","(7a-Hydroxymethyl-1,2,3,7a-tetrahydro-inden-3a-yl)-methanol","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1575","0.0977","","","0.2413","0.2667","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505872","7.432","0.01","21.592","0.012","7.462","0.009","90","","116.22","0.11","90","","1074","2","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1949","0.0969","","","0.2793","0.3805","","","","","","1.29","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505873","9.435","0.001","11.465","0.001","19.104","0.002","90","","90","","90","","2066.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 16","","","- C18 H31 N O3 S2 -","- C18 H31 N O3 S2 -","- C72 H124 N4 O12 S8 -","4","1","","Velázquez, Francisco; Arasappan, Ashok; Chen, Kevin; Sannigrahi, Mousumi; Venkatraman, Srikanth; McPhail, Andrew T.; Chan, Tze-Ming; Shih, Neng-Yang; Njoroge, F. George","Stereoselective synthesis of beta-substituted beta-amino sulfones and sulfonamides via addition of sulfonyl anions to chiral N-sulfinyl imines.","Organic letters","2006","8","4","789","792","10.1021/ol053132b","","","1.5418","CuKα","","0.075","0.064","","0.166","0.162","","","","1.02","1.02","1.02","","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1505874","9.9133","0.0001","15.9233","0.0004","10.8269","0.0002","90","","105.844","0.002","90","","1644.12","0.06","253","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.158","","","","0.219","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505875","15.5946","0.0005","18.5492","0.0006","6.2256","0.0003","90","","90","","90","","1800.86","0.12","253","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.07","","","","0.148","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505876","5.6563","0.0001","16.0226","0.0005","18.3994","0.0007","90","","97.089","0.001","90","","1654.77","0.09","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.71069","MoKα","","0.1438","0.1074","","","0.1903","0.2034","","","","","","1.32","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1505877","17.779","0.003","5.731","0.001","9.827","0.002","90","","98.24","0.01","90","","991","0.3","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F3 N O5 -","- C21 H20 F3 N O5 -","- C42 H40 F6 N2 O10 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.035","","","","0.1","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505878","12.06","0.02","10.836","0.005","9.436","0.007","90","","104.83","0.09","90","","1192","2","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C52 H48 F6 N2 O8 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.037","","","","0.099","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505879","9.062","0.002","11.895","0.003","12.311","0.003","98.051","0.006","100.63","0.01","109.27","0.01","1202","0.5","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N O5 Si -","- C24 H31 N O5 Si -","- C48 H62 N2 O10 Si2 -","2","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.045","","","","0.049","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505880","8.94","0.002","12.302","0.004","21.509","0.004","90","","94.2","0.01","90","","2359.2","1","223.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O5 Si -","- C23 H29 N O5 Si -","- C92 H116 N4 O20 Si4 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.039","","","","0.081","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505881","12.051","0.002","20.06","0.004","11.469","0.002","90","","35.698","0.006","90","","1617.8","0.6","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.04","","","","0.079","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505882","14.582","0.002","18.285","0.003","5.944","0.001","90","","90","","90","","1584.9","0.4","223.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.035","","","","0.038","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505883","7.31","0.03","10.78","0.02","14.356","0.016","90","","103.2","0.2","90","","1101","5","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","x-ray","0.71073","MoKα","","0.0393","0.0346","","","0.0985","0.1017","","","","","","1.063","","","","has coordinates","218678","2020-10-21","18:00:00",""
"1505884","7.169","0.001","17.422","0.003","17.421","0.002","87.315","0.007","83.118","0.006","83.334","0.007","2144.4","0.5","114.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C112 H64 S16 -","8","4","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","","0.7107","MoKα","","","0.0825","","","","0.2097","","","","","","0.963","","","","has coordinates","218678","2020-10-21","18:00:00",""
"1505885","6.7041","0.0011","12.864","0.002","23.295","0.004","90","","90","","90","","2009","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05114","(2R,5R,1'R)-2-tert-Butyl-5-(2',2'-dimethyl-1-(2S-carboxy-1-pyrrolidinyl) propyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one (16)","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","1","","Vartak, Ashish P.; Johnson, Rodney L.","Concerted synthesis of a spirobicyclic type-VI beta-turn mimic of Pro-Pro-Pro-NH2.","Organic letters","2006","8","5","983","986","10.1021/ol0600335","","","0.71073","MoKα","","0.0482","0.0361","","","0.0849","0.0907","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505886","10.1259","0.0009","14.7103","0.0013","14.0452","0.0013","90","","102.284","0.002","90","","2044.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Kong, Aidi; Han, Xiuling; Lu, Xiyan","Highly efficient construction of benzene ring in carbazoles by palladium-catalyzed endo-mode oxidative cyclization of 3-(3'-alkenyl)indoles.","Organic letters","2006","8","7","1339","1342","10.1021/ol060039u","","","0.71073","MoKα","","0.0873","0.0516","","","0.1144","0.1284","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505887","6.02","0.0007","15.08","0.0013","16.371","0.0011","90","","92.672","0.003","90","","1484.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.1566","0.0509","","","0.1108","0.1383","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505888","7.4374","0.0004","8.0243","0.0006","11.3999","0.0015","90","","92.67","0.007","90","","679.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 N O6 -","- C15 H9 N O6 -","- C30 H18 N2 O12 -","2","0.5","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.0603","0.0412","","","0.1034","0.1126","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505889","13.2968","0.0002","19.1906","0.0003","23.6024","0.0005","90","","97.599","0.001","90","","5969.82","0.18","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl3 N7 O6 -","- C57 H60 Cl3 N7 O6 -","- C228 H240 Cl12 N28 O24 -","4","1","","Kaewtong, Chatthai; Fuangswasdi, Saowarux; Muangsin, Nongnuj; Chaichit, Narongsak; Vicens, Jacques; Pulpoka, Buncha","Novel C3v-symmetrical N7-Hexahomotriazacalix[3]cryptand: a highly efficient receptor for halide anions.","Organic letters","2006","8","8","1561","1564","10.1021/ol060052e","","","0.71073","MoKα","","","0.1046","","","","0.3769","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505890","16.645","0.002","16.645","0.002","9.0395","0.0018","90","","90","","120","","2168.9","0.6","293","2","293","2","","","","","","","synthesis","5","P 63","P 6c","173","tisphosphoramide 1d","","","- C51 H54 N3 O4 P -","- C51 H54 N3 O4 P -","- C102 H108 N6 O8 P2 -","2","0.333333","","Du, Da-Ming; Fang, Tao; Xu, Jiaxi; Zhang, Shi-Wei","Structurally well-defined, recoverable C3-symmetric tris(beta-hydroxy phosphoramide)-catalyzed enantioselective borane reduction of ketones.","Organic letters","2006","8","7","1327","1330","10.1021/ol0600584","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.062","0.0645","","","","","","0.798","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505891","15.4671","0.0013","22.6543","0.0018","27.05","0.002","90","","102.299","0.002","90","","9260.7","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H36 Cl2 F40 N10 -","- C102 H36 Cl2 F40 N10 -","- C408 H144 Cl8 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1477","0.0846","","","0.2478","0.2883","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505892","15.209","0.003","22.606","0.004","27.009","0.005","90","","101.382","0.003","90","","9103","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H32 Cl4 F40 N10 -","- C96 H32 Cl4 F40 N10 -","- C384 H128 Cl16 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1135","0.0826","","","0.2235","0.2543","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505893","7.9496","0.0008","12.7043","0.0013","13.1705","0.0013","90","","90","","90","","1330.1","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Shim, Sang Hee; Swenson, Dale C.; Gloer, James B.; Dowd, Patrick F.; Wicklow, Donald T.","Penifulvin A: a sesquiterpenoid-derived metabolite containing a novel dioxa[5,5,5,6]fenestrane ring system from a fungicolous isolate of Penicillium griseofulvum.","Organic letters","2006","8","6","1225","1228","10.1021/ol060107c","","","0.71069","MoKα","","0.0487","0.0355","","","0.0793","0.0842","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505894","7.215","0.001","7.524","0.001","16.782","0.003","90","","92.21","0.03","90","","910.3","0.2","198","2","198","2","","","0","","","","synthetic","4","P 1 21 1","P 2yb","4","","vinylcyclopentan","","- C15 H30 O3 Si -","- C15 H30 O3 Si -","- C30 H60 O6 Si2 -","2","1","","Helmboldt, Hannes; Köhler, Daniel; Hiersemann, Martin","Synthesis of the norjatrophane diterpene (-)-15-acetyl-3-propionyl- 17-norcharaciol.","Organic letters","2006","8","8","1573","1576","10.1021/ol060115t","","x-ray","0.71073","MoKα","","0.049","0.0382","","","0.0964","0.1002","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505895","9.969","0.002","10.816","0.002","11.889","0.003","90","","112.1","0.004","90","","1187.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F3 N2 O S -","- C8 H13 F3 N2 O S -","- C32 H52 F12 N8 O4 S4 -","4","2","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.0694","0.0582","","","0.1399","0.1693","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505896","9.2287","0.0012","8.0025","0.001","10.3705","0.0014","90","","90.623","0.002","90","","765.84","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N2 O S -","- C13 H15 F3 N2 O S -","- C26 H30 F6 N4 O2 S2 -","2","1","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.037","0.0333","","","0.0749","0.0766","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505897","11.277","0.002","11.841","0.002","19.771","0.003","90","","90","","90","","2640","0.8","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","diisopropylammonium benzotriazolate","","- C12 H20 N4 -","- C12 H20 N4 -","- C96 H160 N32 -","8","0.5","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0575","0.0555","","","0.1473","0.1493","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505898","9.087","0.002","21.565","0.003","12.4","0.002","90","","93.37","0.03","90","","2425.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium benzotriazolate benzotriazole 1:1:1","","- C24 H33 N7 -","- C24 H33 N7 -","- C96 H132 N28 -","4","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0484","0.0396","","","0.1158","0.1232","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505899","14.607","0.003","17.531","0.003","18.792","0.003","90","","103.93","0.06","90","","4670.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dicyclohexylammonium benzotriazolate phenol (1:1:1)","","- C24 H34 N4 O -","- C24 H34 N4 O -","- C192 H272 N32 O8 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0812","0.0709","","","0.1966","0.2276","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505900","8.717","0.002","21.365","0.003","23.39","0.003","90","","90","","90","","4356.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cyclopropylammonium benzotriazolate benzotriazole (1:1:2)","","- C21 H22 N10 -","- C21 H22 N10 -","- C168 H176 N80 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0664","0.0507","","","0.1518","0.1623","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505901","11.573","0.003","14.732","0.004","17.032","0.005","90","","98.886","0.011","90","","2869","1.4","297.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Wang, Yan-Guang; Cui, Sun-Liang; Lin, Xu-Feng","A highly selective cascade approach to diverse aromatic ring systems from simple aromatic aldehydes and propiolates.","Organic letters","2006","8","6","1241","1244","10.1021/ol060143b","","","0.71075","MoKα","","","0.0475","","","","0.1218","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505902","14.248","0.003","7.7909","0.0016","22.151","0.005","90","","108.455","0.003","90","","2332.4","0.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","1","","Bentley, David J.; Slawin, Alexandra M. Z.; Moody, Christopher J.","Total synthesis of stephanotic acid methyl ester.","Organic letters","2006","8","10","1975","1978","10.1021/ol060153c","","","0.71073","MoKα","","0.0438","0.0368","","","0.0855","0.0902","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505903","13.409","0.002","13.645","0.002","14.854","0.002","90","","103.485","0.002","90","","2642.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","deoxycholate anion receptor1","","","- C45 H60 Br2 Cl6 N4 O8 -","- C45 H60 Br2 Cl6 N4 O8 -","- C90 H120 Br4 Cl12 N8 O16 -","2","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.0918","0.0687","","","0.1542","0.1633","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505904","27.172","0.005","8.5342","0.0016","23.688","0.004","90","","121.809","0.003","90","","4668","1.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","deoxycholate anion receptor2","","","- C43 H60 Br2 N4 O7.5 -","- C43 H60 Br2 N4 O7.5 -","- C172 H240 Br8 N16 O30 -","4","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.1259","0.0609","","","0.1571","0.1904","","","","","","0.917","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1505905","9.8674","0.0016","11.449","0.003","17.359","0.006","102.14","0.02","105.57","0.02","95.79","0.02","1820.9","0.9","120","2","120","2","","","","","","","Dan Pantos","4","P -1","-P 1","2","","","","- C39.5 H40 N5 O10.5 -","- C39.5 H40 N5 O10.5 -","- C79 H80 N10 O21 -","2","1","","Sessler, Jonathan L.; Pantos, G. Dan; Gale, Philip A.; Light, Mark E.","Synthesis and anion binding properties of N,N'-bispyrrol-2-yl-2,5-diamidopyrrole.","Organic letters","2006","8","8","1593","1596","10.1021/ol060193g","","","0.71073","MoKα","","0.1674","0.0771","","","0.1817","0.224","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505906","18.443","0.008","8.521","0.003","27.694","0.012","90","","105.917","0.007","90","","4185","3","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C176 H152 Br8 N16 O16 S8 -","8","2","","Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin","Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives.","Organic letters","2006","8","8","1621","1624","10.1021/ol0602001","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505907","22.88","0.005","25.666","0.006","14.578","0.003","90","","123.552","0.005","90","","7134","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl2 Hg N4 O12 S2 -","- C32 H32 Cl2 Hg N4 O12 S2 -","- C256 H256 Cl16 Hg8 N32 O96 S16 -","8","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.2073","0.0622","","","0.1254","0.1982","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505908","11.3042","0.0011","36.375","0.004","8.3764","0.0008","90","","100.603","0.002","90","","3385.5","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Hg I2 N4 O4 S2 -","- C32 H32 Hg I2 N4 O4 S2 -","- C128 H128 Hg4 I8 N16 O16 S8 -","4","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.0734","0.0435","","","0.1063","0.1283","","","","","","1.124","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1505909","23.964","0.009","6.054","0.002","11.16","0.004","90","","90","","90","","1619.1","1","218","2","218","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0425","0.0383","","","0.094","0.0966","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505910","8.3433","0.0009","12.0224","0.0013","15.8306","0.0018","90","","98.373","0.002","90","","1571","0.3","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 N8 -","- C44 H28 N8 -","- C88 H56 N16 -","2","0.5","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0766","0.0547","","","0.1452","0.1607","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505911","21.326","0.005","21.2","0.005","23.53","0.005","90","0.005","111.92","0.005","90","0.005","9869","4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C151 H80 O10 -","- C151 H80 O10 -","- C604 H320 O40 -","4","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71069","MoKα","","0.1976","0.1211","","","0.291","0.3447","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505912","14.443","","16.347","","17.597","","76.19","","75.68","","70.01","","3728.43","","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","C60C6H4COOEt5Me","","- C113 H56 O10 -","- C113 H56 O10 -","- C226 H112 O20 -","2","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71073","MoKα","","0.1852","0.1439","","","0.3778","0.4211","","","","","","1.476","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505913","10.585","0.004","12.668","0.004","9.841","0.004","97.61","0.03","99.46","0.03","92.88","0.03","1286.7","0.8","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C56 H76 O8 -","1","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.071","","","","0.226","","","","","","1.04","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505914","11.365","0.005","21.338","0.006","16.49","0.02","90","","90","","90","","3999","5","298.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H55 N O4 -","- C48 H55 N O4 -","- C192 H220 N4 O16 -","4","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoK\/Ya","","","0.077","","","","0.244","","","","","","0.994","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505915","9.9905","0.0011","10.8313","0.0012","16.1426","0.0019","90","","99.003","0.003","90","","1725.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O4 -","- C40 H53 N O4 -","- C80 H106 N2 O8 -","2","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71069","MoKα","","0.0683","0.0409","","","0.0845","0.095","","","","","","0.811","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505916","6.1276","0.0003","12.1417","0.0006","15.6434","0.0008","109.99","0.002","95.395","0.002","95.643","0.002","1078.26","0.09","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C50 H48 Br2 N2 O6 -","2","2","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71073","MoKα","","0.0609","0.0539","","","0.137","0.143","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505917","6.1395","0.0009","23.287","0.003","11.4789","0.0017","90","","101.384","0.002","90","","1608.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.064","0.0482","","","0.1032","0.1109","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505918","18.387","0.012","8.174","0.005","26.538","0.018","90","","96.093","0.012","90","","3966","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C184 H176 O24 S8 -","8","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0747","0.0599","","","0.1613","0.1709","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505919","9.1854","0.0012","9.9315","0.0013","21.382","0.003","90","","94.101","0.002","90","","1945.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0743","0.0479","","","0.1165","0.1287","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505920","9.754","0.002","12.086","0.002","13.614","0.003","90","","90","","90","","1604.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O5 -","- C16 H18 F N O5 -","- C64 H72 F4 N4 O20 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0435","0.0357","","","0.0935","0.0981","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505921","9.6137","0.0019","11.512","0.002","13.536","0.003","90","","90","","90","","1498.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O4 -","- C16 H18 F N O4 -","- C64 H72 F4 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0668","0.038","","","0.0704","0.0777","","","","","","0.952","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505922","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505923","6.0083","0.0004","19.6711","0.0014","18.7067","0.0013","90","","97.123","0.001","90","","2193.9","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0503","0.0371","","","0.094","0.1035","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505924","25.1768","0.0018","11.7431","0.0008","20.5459","0.0015","90","","105.89","0.0012","90","","5842.4","0.7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H39 Cl O4 -","- C34.5 H39 Cl O4 -","- C276 H312 Cl8 O32 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.101","0.069","","","0.1983","0.2255","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505925","18.1743","0.0016","14.9401","0.0013","17.2589","0.0015","90","","95.7046","0.0012","90","","4663","0.7","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H23 Cl3 -","- C29 H23 Cl3 -","- C232 H184 Cl24 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0581","0.0401","","","0.101","0.1117","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505926","16.9495","0.0009","15.8806","0.0009","20.9138","0.0012","90","","105.999","0.001","90","","5411.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F6 N2 O5 Pd -","- C25 H26 F6 N2 O5 Pd -","- C200 H208 F48 N16 O40 Pd8 -","8","2","","Rogers, Michelle M.; Wendlandt, Johanna E.; Guzei, Ilia A.; Stahl, Shannon S.","Aerobic intramolecular oxidative amination of alkenes catalyzed by NHC-coordinated palladium complexes.","Organic letters","2006","8","11","2257","2260","10.1021/ol060327q","","","0.71073","MoKα","","0.0682","0.0493","","","0.1304","0.1526","","","","","","0.958","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505927","9.129","0.006","12.031","0.003","9.871","0.007","90","","102.28","0.03","90","","1059.3","1.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0705","0.0653","","","0.1671","0.1721","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505928","24.997","0.005","8.6063","0.0009","19.087","0.004","90","","111.239","0.008","90","","3827.3","1.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","2","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.1951","0.0835","","","0.1978","0.2568","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505929","16.0866","0.0008","17.8033","0.001","7.1185","0.0004","90","","90","","90","","2038.7","0.19","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C88 H72 N8 O24 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","0.71069","MoKα","","0.1443","0.0534","","","0.1173","0.1467","","","","","","0.814","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505930","10.6889","0.0019","7.5335","0.0016","22.998","0.004","90","","101.875","0.009","90","","1812.3","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0663","0.056","","","0.1565","0.1664","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505931","7.8657","0.0005","9.0257","0.0005","9.668","0.0006","64.462","0.004","75.228","0.003","74.537","0.004","589.1","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C24 H22 Br2 N4 O4 -","2","1","","Krasnova, Larissa B.; Yudin, Andrei K.","Highly regioselective transformation of alkenyl bromides into alpha-bromoaziridines and alpha-bromohydrazones.","Organic letters","2006","8","10","2011","2014","10.1021/ol060336z","","","0.71073","MoKα","","0.0476","0.0362","","","0.0819","0.087","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505932","10.8414","0.0008","10.9897","0.0006","11.1654","0.0006","82.275","0.003","80.529","0.003","63.336","0.003","1169.84","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","England, Dylan B.; Magolan, Jakob; Kerr, Michael A.","Synthesis of the western half of the lolicines and lolitrems.","Organic letters","2006","8","11","2209","2212","10.1021/ol060338j","","","0.71073","MoKα","","0.0973","0.0524","","","0.1292","0.1473","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505933","15.362","0.002","10.6888","0.0014","16.338","0.002","90","","92.15","0.002","90","","2680.8","0.6","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C111 H106 B2 Cl6 F8 O12 P4 Rh2 -","2","1","","Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin","Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands.","Organic letters","2006","8","7","1479","1481","10.1021/ol060360c","","","0.71073","MoKα","","0.088","0.0494","","","0.1137","0.132","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505934","7.3633","0.0003","12.2983","0.0005","32.9857","0.0014","90","","90","","90","","2987.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H49 N O5 -","- C31.014 H49 N O5 -","- C124.056 H196 N4 O20 -","4","1","","Nichols, Paul J.; Demattei, John A.; Barnett, Bradley R.; Lefur, Nicole A.; Chuang, Tsung-Hsun; Piscopio, Anthony D.; Koch, Kevin","Preparation of pyrrolidine-based PDE4 inhibitors via enantioselective conjugate addition of alpha-substituted malonates to aromatic nitroalkenes.","Organic letters","2006","8","7","1495","1498","10.1021/ol060398p","","","0.71073","MoKα","","0.1544","0.1017","","","0.2608","0.2973","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505935","15.4115","0.0017","15.2733","0.0017","15.5755","0.0018","90","","101.178","0.002","90","","3596.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Yong-Hua; Shi, Min","A stereoselective synthetic route to 1,6-Dioxaspiro[4.4]non-3-en-2-ones from cyclopropyl alkyl ketones and alpha-ketoesters.","Organic letters","2006","8","8","1709","1712","10.1021/ol060415a","","","0.71073","MoKα","","0.0762","0.0526","","","0.1355","0.1451","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505936","7.005","0.002","9.105","0.003","16.371","0.006","90","","93.84","0.01","90","","1041.8","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O9 -","- C21 H24 N2 O9 -","- C42 H48 N4 O18 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505937","7.5306","0.0004","13.0421","0.0007","15.3021","0.001","90","","91.971","0.004","90","","1502","0.15","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H46 O4 Si -","- C32 H31 O4 Si -","- C64 H62 O8 Si2 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","1.54187","CuKα","","","0.0651","","","","0.1858","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505938","12.3934","0.0015","22.795","0.003","17.545","0.002","90","","102.413","0.002","90","","4840.7","1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H114 F12 N4 O16 P2 -","- C100 H114 F12 N4 O16 P2 -","- C200 H228 F24 N8 O32 P4 -","2","0.5","","Zong, Qian-Shou; Zhang, Chun; Chen, Chuan-Feng","Self-assembly of triptycene-based cylindrical macrotricyclic host with dibenzylammonium ions: construction of dendritic [3]pseudorotaxanes.","Organic letters","2006","8","9","1859","1862","10.1021/ol0604419","","","0.71073","MoKα","","0.1895","0.0905","","","0.242","0.3246","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505939","9.202","0.002","8.4447","0.0019","27.273","0.006","90","","93.76","0.005","90","","2114.8","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O7 -","- C19 H23 N3 O7 -","- C76 H92 N12 O28 -","4","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1126","0.0685","","","0.183","0.2126","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505940","9.368","0.004","11.046","0.004","12.816","0.005","103.806","0.006","99.468","0.006","99.592","0.007","1240.6","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C50 H36 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.174","0.1291","","","0.3764","0.4151","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505941","9.606","0.007","10.722","0.008","11.989","0.009","71.178","0.013","71.546","0.016","64.928","0.014","1035.1","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C40 H52 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1561","0.0778","","","0.1829","0.2272","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505942","7.4379","0.001","11.1077","0.0014","13.6905","0.0017","90","","102.016","0.002","90","","1106.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Reddy, Leleti Rajender; Corey, E. J.","Novel bicyclization reaction leading to a fused beta-lactone.","Organic letters","2006","8","8","1717","1719","10.1021/ol060464n","","","0.71073","MoKα","","0.0425","0.0393","","","0.0957","0.0977","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505943","11.4155","0.0016","20.035","0.003","25.895","0.004","90","","93.774","0.003","90","","5909.6","1.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Br2 O5 Si -","- C29 H34 Br2 O5 Si -","- C232 H272 Br16 O40 Si8 -","8","2","","Okamoto, Noriko; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Epoxysilane rearrangement induced by a carbanion generated by conjugate addition of enolates of chloroacetate and alpha-chloroacetamides: formation of functionalized cyclopropane derivatives.","Organic letters","2006","8","9","1889","1891","10.1021/ol060469k","","","0.71073","MoKα","","0.2047","0.0592","","","0.124","0.1809","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505944","18.011","0.005","18.011","0.005","14.279","0.008","90","","90","","90","","4632","3","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0518","0.036","","","0.0835","0.0925","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505945","5.3345","0.0009","15.737","0.002","17.134","0.003","90","","90","","90","","1438.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0526","0.0394","","","0.0708","0.0752","","","","","","0.801","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505946","24.869","0.014","11.816","0.007","8.085","0.005","90","","103.348","0.011","90","","2312","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0433","0.0355","","","0.0887","0.0937","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505947","8.4101","0.0017","8.6372","0.0018","20.288","0.004","90","","90","","90","","1473.7","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0992","0.0954","","","0.1676","0.1688","","","","","","1.398","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505948","8.523","0.002","9.314","0.002","17.357","0.004","90","","97.879","0.005","90","","1364.8","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","2","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0641","0.0473","","","0.0957","0.1065","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505949","8.4676","0.0015","10.3486","0.0019","18.041","0.003","90","","90","","90","","1580.9","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.1014","0.0867","","","0.1285","0.132","","","","","","1.4","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505950","8.6105","0.0016","9.7462","0.0018","18.86","0.003","90","","90","","90","","1582.7","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.074","0.0723","","","0.1307","0.1314","","","","","","1.429","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505951","13.342","0.003","9.981","0.003","16.534","0.004","90","","94.778","0.004","90","","2194.1","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O8 -","- C24 H19 O8 -","- C96 H76 O32 -","4","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Desymmetrization of cyclic anhydrides using dihydroxy compounds: selective synthesis of macrocyclic tetralactones.","Organic letters","2006","8","9","1913","1916","10.1021/ol060509k","","","0.71073","MoKα","","0.137","0.1286","","","0.3586","0.3634","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505952","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C H O -","- C1.5477 H1.69811 O0.226943 -","- C82.028 H90 O12.028 -","53","26.5","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505953","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H45 O6 -","- C41 H45 O6 -","- C82 H90 O12 -","2","1","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505954","10.4474","0.0007","13.7791","0.001","23.7993","0.0016","90","","90","","90","","3426","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.","Organic letters","2006","8","10","2087","2090","10.1021/ol0605171","","","0.71073","MoKα","","0.0932","0.0554","","","0.1333","0.1523","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505955","8.793","0.001","10.789","0.001","16.09","0.001","109.16","0.01","90.96","0.01","112.66","0.01","1312.5","0.3","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","1","1","","Wünnemann, Stefan; Fröhlich, Roland; Hoppe, Dieter","3,3'-oxazolidinyl-substituted 2,2'-biphenyldiols: novel tropos ligands with a large induction on the chiral axis.","Organic letters","2006","8","12","2455","2458","10.1021/ol060528u","","","1.54178","CuKα","","0.0821","0.0689","","","0.1754","0.1903","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505956","7.9018","0.0007","13.9786","0.0014","12.2708","0.0011","90","","100.951","0.005","90","","1330.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O4 S Si -","- C25 H38 N2 O4 S Si -","- C50 H76 N4 O8 S2 Si2 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.077","0.044","","","0.075","0.082","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505957","12.0695","0.0007","7.0753","0.0002","18.1535","0.0011","90","","100.805","0.004","90","","1522.74","0.14","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C54 H96 O8 S2 Si4 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.072","0.047","","","0.088","0.097","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505958","8.064","0.0001","14.0827","0.0002","28.0965","0.0006","90","","90","","90","","3190.72","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.068","0.037","","","0.075","0.084","","","","","","0.959","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505959","10.3367","0.0008","10.7685","0.0007","28.627","0.002","90","","90","","90","","3186.5","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.112","0.097","","","0.205","0.216","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505960","6.4828","0.0014","8.2179","0.0016","20.787","0.005","90","","94.519","0.013","90","","1104","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Kong, Ke; Romo, Daniel","Diastereoselective, vinylogous mukaiyama aldol additions of silyloxy furans to cyclic ketones: annulation of butenolides and gamma-lactones.","Organic letters","2006","8","14","2909","2912","10.1021/ol060534q","","","1.54178","CuKα","","0.0544","0.047","","","0.1114","0.1163","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505961","11.594","0.002","9.74","0.0019","13.117","0.003","90","","111.1","0.03","90","","1381.9","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O17 -","- C23 H34 O17 -","- C46 H68 O34 -","2","1","","Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma.","Organic letters","2006","8","9","1937","1940","10.1021/ol060535i","","","0.71073","MoKα","","0.0922","0.0874","","","0.1777","0.1815","","","","","","1.231","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505962","11.654","0.003","10.754","0.003","15.597","0.004","90","0.001","107.367","0.0011","90","0.001","1865.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 B2 N2 -","- C46 H54 B2 N2 -","- C92 H108 B4 N4 -","2","0.5","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Syntheses, structure, and optical properties of ladder-type fused azaborines.","Organic letters","2006","8","11","2241","2244","10.1021/ol060539n","","","0.7107","MoKα","","0.0393","0.0377","","","0.0947","0.0961","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505963","8.856","0.005","19.688","0.012","9.065","0.005","90","","98.531","0.009","90","","1563.1","1.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0827","0.056","","","0.154","0.1713","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505964","9.6295","0.0009","10.5087","0.001","15.1393","0.0014","90","","105.982","0.002","90","","1472.8","0.2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0509","0.0428","","","0.1187","0.125","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505965","16.0885","0.0017","9.0949","0.001","11.4633","0.0012","90","","104.433","0.002","90","","1624.4","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C68 H48 Cl8 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0535","0.0408","","","0.0983","0.1053","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505966","7.6288","0.0013","27.022","0.005","10.6632","0.0018","90","","108.022","0.003","90","","2090.3","0.6","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Jeong, Jeannie H.; Weinreb, Steven M.","Formal total synthesis of the cytotoxic marine ascidian alkaloid haouamine A.","Organic letters","2006","8","11","2309","2312","10.1021/ol060556c","","","0.71073","MoKα","","0.0938","0.0632","","","0.1288","0.1398","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505967","7.704","0.0006","20.7495","0.0017","11.3041","0.0009","90","","97.818","0.001","90","","1790.2","0.2","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0757","0.0518","","","0.1375","0.154","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505968","7.9584","0.0006","11.0098","0.0009","11.1684","0.0009","69.002","0.001","83.187","0.001","84.371","0.001","905.51","0.12","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0651","0.0533","","","0.1504","0.1612","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505969","9.9891","0.0011","9.0635","0.0011","19.991","0.002","90","","103.081","0.002","90","","1762.9","0.3","295","2","295","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0936","0.0596","","","0.1463","0.1701","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505970","4.9719","0.0009","14.74","0.003","26.89","0.005","90","","90","","90","","1970.7","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Evans, David A.; Fandrick, Keith R.","Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles.","Organic letters","2006","8","11","2249","2252","10.1021/ol060576e","","","0.71073","MoKα","","0.0843","0.0588","","","0.0786","0.0849","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505971","6.9889","0.001","12.7368","0.0019","14.102","0.002","114.04","0.002","99.928","0.003","93.764","0.002","1116.3","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 N O2 Si2 -","- C20 H35 N O2 Si2 -","- C40 H70 N2 O4 Si4 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.0407","0.0328","","","0.0815","0.0892","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505972","8.194","0.002","8.643","0.003","14.789","0.004","75.358","0.005","83.355","0.005","63.325","0.004","905.5","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N O Si -","- C18 H29 N O Si -","- C36 H58 N2 O2 Si2 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.1231","0.1111","","","0.3022","0.3092","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505973","11.126","0.014","12.092","0.009","8.986","0.005","90","","90","","90","","1208.9","1.9","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","Mo-Kα","","0.0542","0.054","","","0.1276","0.1279","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505974","8.9878","0.0019","11.288","0.004","12.302","0.003","90","","90","","90","","1248.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 7","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71069","Mo-Kα","","0.0174","0.0167","","","0.0416","0.0418","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505975","14.231","0.0004","8.0976","0.0003","15.67","0.0004","90","","116.428","0.0016","90","","1617.05","0.09","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","MoKα","","0.0446","0.036","","","0.1012","0.1071","","","","","","1.122","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505976","11.487","0.004","11.553","","20.483","0.007","90","","90","","90","","2718.3","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 N2 O5 -","- C25 H32 Cl2 N2 O5 -","- C100 H128 Cl8 N8 O20 -","4","1","","Cho, Ji Young; Kwon, Hak Cheol; Williams, Philip G.; Jensen, Paul R.; Fenical, William","Azamerone, a terpenoid phthalazinone from a marine-derived bacterium related to the genus Streptomyces (Actinomycetales).","Organic letters","2006","8","12","2471","2474","10.1021/ol060630r","","","0.71073","MoKα","","0.0703","0.0507","","","0.1199","0.1294","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505977","12.499","0.004","12.818","0.004","24.388","0.008","90","","104.85","","90","","3777","2","173","2","173","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","bisimpyrcuclo4bindingpyridine2aldehyde","","","- C35 H36 Cl2 Cu N6 O12 -","- C35 H36 Cl2 Cu N6 O12 -","- C140 H144 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0587","0.0473","","","0.1258","0.1364","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505978","29.974","0.005","7.5925","0.0011","32.831","0.007","90","","115.893","0.002","90","","6722","2","173","2","173","2","","","","","","","synthesized","6","I 1 a 1","I -2ya","9","bisimidazolepyridinecudimer","","","- C70 H73 Cl2 Cu N13 O12 -","- C66 H68.5 Cl2 Cu N12.5 O12 -","- C264 H274 Cl8 Cu4 N50 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0693","0.0578","","","0.1681","0.1762","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505979","9.7166","0.0018","10.7129","0.0019","17.105","0.003","74.833","0.003","81.818","0.003","85.861","0.003","1699.9","0.5","173","2","173","2","","","","","","","synthesized","6","P -1","-P 1","2","Bisimadazole copper perchlorate acetone","","","- C32 H35 Cl2 Cu N5 O11 -","- C32 H35 Cl2 Cu N5 O11 -","- C64 H70 Cl4 Cu2 N10 O22 -","2","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0444","0.0391","","","0.1062","0.1108","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505980","10.84","0.003","33.593","0.009","10.848","0.003","90","","93.378","0.005","90","","3943.4","1.9","173","2","173","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","BisimidazoleCupperpyridineperchlorate","","","- C37 H42 Cl2 Cu N6 O12 -","- C37 H40 Cl2 Cu N6 O12 -","- C148 H160 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.1399","0.0529","","","0.1146","0.148","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505981","7.4101","0.0002","10.279","0.0002","10.2887","0.0003","77.3182","0.0016","79.7927","0.0016","81.7076","0.0016","747.91","0.03","200","","200","","","","","","","","?","5","P -1","-P 1","2","","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C34 H40 Cl2 N2 O6 -","2","1","","Stanislawski, Pauline C.; Willis, Anthony C.; Banwell, Martin G.","New protocols for the assembly of the tetracyclic framework associated with the aromatic erythrina alkaloids.","Organic letters","2006","8","10","2143","2146","10.1021/ol060642c","","","0.71073","MoKα","","0.0372","0.0302","","0.0411","0.0381","0.0381","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505982","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505983","8.1823","0.0008","10.251","0.001","12.702","0.0013","91.707","0.002","105.15","0.003","101.572","0.003","1003.66","0.17","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O5 S -","- C19 H22 F3 N O5 S -","- C38 H44 F6 N2 O10 S2 -","2","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0783","0.0633","","","0.1845","0.2016","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505984","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.5","0.5","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505985","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505986","17.006","0.003","9.2753","0.0016","17.1","0.004","90","","105.239","0.005","90","","2602.4","0.9","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.1253","0.1162","","","0.3065","0.324","","","","","","1.348","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505987","14.2546","0.0014","14.3641","0.0014","17.5605","0.0017","111.433","0.002","98.995","0.002","102.094","0.002","3163.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.18 H36.37 Cl0.37 N2 O9 S2 -","- C31.185 H36.37 Cl0.37 N2 O9 S2 -","- C124.74 H145.48 Cl1.48 N8 O36 S8 -","4","2","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.1079","0.0872","","","0.2218","0.2399","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505988","9.5255","0.0003","10.5137","0.0003","16.1411","0.0007","103.771","0.002","99.338","0.002","110.545","0.001","1415.47","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O9 -","- C31 H36 N2 O9 -","- C62 H72 N4 O18 -","2","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0534","0.0398","","","0.1","0.1096","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505989","8.178","0.0003","12.3849","0.0004","25.8621","0.0009","90","","90","","90","","2619.41","0.16","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0479","0.0371","","","0.1043","0.1106","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505990","12.1529","0.001","30.119","0.003","9.3248","0.0008","90","","112.56","","90","","3152","0.5","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N2 Na Ni O13 -","- C30 H32 Cl N2 Na Ni O13 -","- C120 H128 Cl4 N8 Na4 Ni4 O52 -","4","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.0398","0.0338","","","0.0987","0.1035","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505991","36.115","0.002","13.8424","0.0008","30.5377","0.0019","90","","115.058","0.002","90","","13829.5","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H75 Cl2 N5 Na2 Ni2 O28 -","- C62 H67 Cl2 N5 Na2 Ni2 O28 -","- C496 H536 Cl16 N40 Na16 Ni16 O224 -","8","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1205","0.0885","","","0.2491","0.2715","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505992","18.862","0.003","22.782","0.003","19.734","0.003","90","","92.067","0.003","90","","8474","2","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84.5 H93 Cl3 N3 Ni O24 P2 -","- C84.5 H90 Cl3 N3 Ni O24 P2 -","- C338 H360 Cl12 N12 Ni4 O96 P8 -","4","2","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1934","0.1234","","","0.307","0.3641","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505993","10.5557","0.0009","11.3404","0.001","15.57","0.0013","90","","108.636","0.002","90","","1766.1","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N O6 S Si -","- C32 H50 N O6 S Si -","- C64 H100 N2 O12 S2 Si2 -","2","1","","García-Fortanet, Jorge; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Stereoselective synthesis of the cytotoxic macrolide FD-891.","Organic letters","2006","8","13","2695","2698","10.1021/ol060669w","","","0.71073","MoKα","","0.1685","0.0599","","","0.1116","0.1421","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505994","5.1281","0.0009","17.586","0.003","9.3323","0.0016","90","","95.199","0.002","90","","838.2","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6,13-Bis(methylthio)pentacene","6,13-Bis(methylthio)pentacene","","- C24 H18 S2 -","- C24 H18 S2 -","- C48 H36 S4 -","2","0.5","","Kobayashi, Kenji; Shimaoka, Reishi; Kawahata, Masatoshi; Yamanaka, Masamichi; Yamaguchi, Kentaro","Synthesis and cofacial pi-stacked packing arrangement of 6,13-bis(alkylthio)pentacene.","Organic letters","2006","8","11","2385","2388","10.1021/ol060679x","","","0.71073","MoKα","","0.0578","0.0407","","","0.1047","0.1126","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505995","10.899","0.001","11.019","0.001","15.357","0.001","90","0.002","92.158","0.002","90","0.002","1843","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-methoxy-3,3-dimethyl-4,8-di(thiophen-2-yl)chroman-2-one","","- C20 H18 O3 S2 -","- C20 H18 O3 S2 -","- C80 H72 O12 S8 -","4","1","","Barluenga, José; Andina, Facundo; Aznar, Fernando","Unprecedented reactivity pattern of chromium fischer carbene complexes. Direct application to one-pot synthesis of 4-aryl-3,4-dihydrocoumarins on a multigram scale.","Organic letters","2006","8","13","2703","2706","10.1021/ol060702e","","","0.71073","MoKα","","0.1251","0.0791","","","0.2498","0.2904","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505996","7.4658","0.0018","7.624","0.002","12.073","0.003","99.855","0.01","97.556","0.01","96.977","0.009","663.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H15 N O2 S3 -","- C12 H15 N O2 S3 -","- C24 H30 N2 O4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.1288","0.0628","","","0.1439","0.1683","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505997","7.3439","0.0005","7.4671","0.0005","12.4818","0.0008","90.986","0.005","103.213","0.005","111.187","0.005","617.54","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C11 H12 N2 S3 -","- C11 H12 N2 S3 -","- C22 H24 N4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0674","0.0369","","","0.0872","0.1012","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505998","9.9722","0.0003","15.9458","0.0005","11.1555","0.0004","90","","115.648","0.001","90","","1599.11","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O5 S3 -","- C13 H15 N O5 S3 -","- C52 H60 N4 O20 S12 -","4","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0347","0.031","","","0.0863","0.0885","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505999","31.7102","0.0011","31.7102","0.0011","9.791","0.0008","90","","90","","120","","8526.2","0.8","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H38 N2 O10 -","- C40 H36 N2 O10 -","- C360 H324 N18 O90 -","9","0.5","","Lavin, Judith M.; Shimizu, Ken D.","Rapid screening of a receptor with molecular memory.","Organic letters","2006","8","11","2389","2392","10.1021/ol060706j","","","0.71073","MoKα","","0.0931","0.0522","","","0.084","0.0933","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506000","11.551","0.003","17.594","0.004","13.979","0.003","90","","99.739","0.003","90","","2800","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N3 O -","- C36 H31 N3 O -","- C144 H124 N12 O4 -","4","1","","Fritz, Jonathan A.; Nakhla, Josephine S.; Wolfe, John P.","A new synthesis of imidazolidin-2-ones via Pd-catalyzed carboamination of N-allylureas.","Organic letters","2006","8","12","2531","2534","10.1021/ol060707b","","","0.71073","MoKα","","0.0703","0.0414","","","0.0932","0.1037","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506001","11.504","0.002","15.323","0.003","18.698","0.004","90","","98.95","0.03","90","","3255.9","1.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42 H27 N3 O6 -","- C168 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.1297","0.0473","","","0.1019","0.1192","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506002","9.442","0.0019","14.643","0.003","23.704","0.005","90","","93.98","0.03","90","","3269.4","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42.004 H27 N3 O6 -","- C168.016 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.2092","0.0592","","","0.0884","0.1152","","","","","","0.865","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506003","31.35","0.002","19.1542","0.0015","11.9956","0.0009","90","","97.422","0.003","90","","7142.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexa-p-tertbutyl-5,5'-bi-calix[4]arene","","","- C82 H98 Cl4 O8 -","- C82 H98 Cl4 O8 -","- C328 H392 Cl16 O32 -","4","0.5","","Iglesias-Sánchez, José Carlos; Fragoso, Alex; de Mendoza, Javier; Prados, Pilar","Aryl-aryl linked bi-5,5'-p-tert-butylcalix[4]arene tweezer for fullerene complexation.","Organic letters","2006","8","12","2571","2574","10.1021/ol0607591","","","1.54178","CuKα","","0.1685","0.0795","","","0.2016","0.2518","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506004","11.27","0.003","12.232","0.002","14.711","0.004","79.995","0.014","85.859","0.019","69.207","0.017","1866.9","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 B Cl2 F4 Li N4 -","- C45 H30 B Cl2 F4 Li N4 -","- C90 H60 B2 Cl4 F8 Li2 N8 -","2","1","","Cissell, Julie A.; Vaid, Thomas P.; Yap, Glenn P. A.","The doubly oxidized, antiaromatic tetraphenylporphyrin complex [Li(TPP)][BF4].","Organic letters","2006","8","11","2401","2404","10.1021/ol060772l","","","0.71073","MoKα","","0.0571","0.0451","","","0.0973","0.1075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506005","8.804","0.002","11.544","0.003","20.381","0.011","90","","90","","90","","2071.4","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br F3 N O P -","- C21 H18 Br F3 N O P -","- C84 H72 Br4 F12 N4 O4 P4 -","4","1","","Lauzon, Caroline; Charette, André B","Catalytic asymmetric synthesis of alpha,alpha,alpha-trifluoromethylamines by the copper-catalyzed nucleophilic addition of diorganozinc reagents to imines.","Organic letters","2006","8","13","2743","2745","10.1021/ol0607847","","","1.54178","CuKα","","0.0749","0.0298","","","0.0379","0.0473","","","","","","0.501","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506006","9.775","0.0011","11.6681","0.0017","16.514","0.003","76.168","0.01","83.721","0.01","74.411","0.01","1759.6","0.5","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Cl F -","- C20 H26 Cl F -","- C80 H104 Cl4 F4 -","4","2","","Xu, Jianjun; Wang, Yi; Burton, Donald J.","Site-specific preparation of 3-fluoro-1-substituted-naphthalenes via a novel base-catalyzed cyclization reaction from (E)-monofluoroenynes.","Organic letters","2006","8","12","2555","2558","10.1021/ol060785z","","","0.71073","MoKα","","0.1141","0.0542","","","0.0947","0.113","","","","","","1.112","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506007","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506008","6.0458","0.0013","19.101","0.004","12.283","0.002","90","","104.201","0.004","90","","1375.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O2 -","- C14 H20 N4 O2 -","- C56 H80 N16 O8 -","4","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1567","0.0573","","","0.1363","0.1667","","","","","","0.772","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506009","9.1721","0.0007","9.4004","0.0007","10.7902","0.0008","102.07","0.001","115.017","0.001","92.109","0.001","816.15","0.11","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.059","0.0489","","","0.1322","0.1443","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506010","10.2709","0.0006","10.8236","0.0006","11.1705","0.0007","65.76","0.001","88.031","0.001","78.345","0.001","1107.33","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.0511","0.0425","","","0.1127","0.1157","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506011","10.181","0.004","11.863","0.004","14.548","0.005","95.352","0.007","107.107","0.006","106.137","0.006","1583.6","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 B F3 N4 O S -","- C32 H44 B F3 N4 O S -","- C64 H88 B2 F6 N8 O2 S2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0764","0.0595","","","0.1322","0.1399","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506012","8.481","0.003","11.804","0.004","12.288","0.005","99.518","0.007","106.156","0.006","94.747","0.009","1154.5","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 B F3 N O -","- C26 H27 B F3 N O -","- C52 H54 B2 F6 N2 O2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0775","0.0641","","","0.1288","0.1346","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506013","10.108","0.002","11.843","0.002","12.309","0.003","96.43","0.003","91.237","0.004","111.589","0.003","1358.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F3 N2 O2 -","- C29 H34 B F3 N2 O2 -","- C58 H68 B2 F6 N4 O4 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0901","0.07","","","0.1658","0.1746","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506014","15.6963","0.001","10.9386","0.0007","22.5637","0.0014","90","","90.842","0.001","90","","3873.7","0.4","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 11e","5,17,25,27-tetraaza-11,23-dimethyl-2,8,14,20-tetraoxacalix[4]arene","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C176 H128 N32 O32 -","8","1","","Katz, Jeffrey L.; Geller, Bram J.; Conry, Rebecca R.","Synthesis of oxacalixarenes incorporating nitrogen heterocycles: evidence for thermodynamic control.","Organic letters","2006","8","13","2755","2758","10.1021/ol060823e","","","0.71073","MoKα","","0.0555","0.0461","","","0.1307","0.1373","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506015","10.455","0.002","17.755","0.004","22.107","0.004","90","","90","","90","","4103.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H46 N6 O4 Zn -","- C48.7 H44 N6 O4 Zn -","- C194.8 H176 N24 O16 Zn4 -","4","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0591","0.0554","","","0.1374","0.1397","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506016","10.9538","0.0011","13.767","0.0013","14.2985","0.0014","85.063","0.002","69.181","0.001","79.617","0.001","1981.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N4 O4 Zn -","- C50 H42 N4 O4 Zn -","- C100 H84 N8 O8 Zn2 -","2","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0346","0.0315","","","0.0815","0.0832","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506017","4.928","0.002","16.368","0.006","10.973","0.004","90","","93.41","0.03","90","","883.5","0.6","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","2S,3Z,8R-7-Oxo-deepoxysarcophytoxide","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.038","","","","0.056","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506018","10.863","0.004","8.753","0.003","14.46","0.005","90","","105.59","0.03","90","","1324.3","0.8","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid 1-isopropyl-4,7,11-trimethyl- 5,6,7,8,9,10-hexahydro-benzocyclodecen-8-yl ester","","","- C30 H37 F3 O3 -","- C30 H37 F3 O3 -","- C60 H74 F6 O6 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506019","9.697","0.002","11.333","0.003","31.449","0.009","90","","90","","90","","3456.1","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20.001 H28 O3 -","- C160.008 H224 O24 -","8","2","","Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.","Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.","Organic letters","2006","8","13","2775","2778","10.1021/ol0608552","","","0.71073","MoKα","","0.0983","0.0498","","","0.0981","0.1099","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506020","9.7039","0.0006","10.3408","0.0007","11.1503","0.0007","66.837","0.001","76.731","0.001","76.498","0.001","988.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O3 -","- C28 H20 O3 -","- C56 H40 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0481","0.0432","","","0.1117","0.1156","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506021","9.8486","0.0007","10.909","0.0008","12.3327","0.0009","98.399","0.001","94.286","0.001","94.743","0.001","1301.23","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O3 -","- C37 H26 O3 -","- C74 H52 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0554","0.0466","","","0.1186","0.1252","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506022","9.5126","0.0006","9.8661","0.0014","14.6056","0.0012","82.553","0.005","83.598","0.002","78.989","0.007","1328.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Br2 O3 -","- C33 H22 Br2 O3 -","- C66 H44 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0528","0.041","","","0.1022","0.1074","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506023","9.6793","0.0006","10.6282","0.0006","14.0039","0.0008","84.102","0.001","87.997","0.001","76.156","0.001","1391.3","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O3 -","- C37 H24 Br2 O3 -","- C74 H48 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0291","0.0261","","","0.0711","0.0727","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506024","34.6386","0.0016","10.9975","0.0007","18.8602","0.0009","90","","98.613","0.001","90","","7103.5","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 Br3 O6 -","- C44 H28 Br3 O6 -","- C352 H224 Br24 O48 -","8","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0843","0.048","","","0.1083","0.1201","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506025","10.699","0.002","16.752","0.003","9.5269","0.0018","90","","90","","90","","1707.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Xie, Ling-Hai; Liu, Feng; Tang, Chao; Hou, Xiao-Ya; Hua, Yu-Ran; Fan, Qu-Li; Huang, Wei","Unexpected one-pot method to synthesize spiro[fluorene-9,9'-xanthene] building blocks for blue-light-emitting materials.","Organic letters","2006","8","13","2787","2790","10.1021/ol060871z","","","0.71073","MoKα","","0.0402","0.0338","","","0.0882","0.0923","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506026","9.0868","0.0016","9.7252","0.0018","9.844","0.0017","90","","107.272","0.013","90","","830.7","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C34 H38 Cl2 N4 S2 -","2","1","","Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin","Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction.","Organic letters","2006","8","12","2599","2602","10.1021/ol060874b","","","0.71073","MoKα","","0.0324","0.028","","","0.0669","0.0682","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506027","8.046","0.0014","14.953","0.003","16.805","0.003","80.884","0.008","76.657","0.008","75.271","0.008","1891.9","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 Cl3 -","- C50 H33 Cl3 -","- C100 H66 Cl6 -","2","1","","Karlen, Steven D.; Godinez, Carlos E.; Garcia-Garibay, Miguel A","Improved physical properties and rotational dynamics in a molecular gyroscope with an asymmetric stator structure.","Organic letters","2006","8","16","3417","3420","10.1021/ol060894d","","","0.71073","MoKα","","0.1106","0.0529","","","0.1088","0.1291","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506028","9.9053","0.0002","13.1534","0.0003","17.1989","0.0004","90","","90","","90","","2240.82","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0284","0.028","","","0.0727","0.073","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506029","9.051","0.003","8.794","0.002","25.949","0.009","90","","90.87","0.03","90","","2065.2","1.1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O2 -","- C20 H27 I N2 O2 -","- C80 H108 I4 N8 O8 -","4","2","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0677","0.059","","","0.137","0.1419","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506030","8.314","0.002","20.024","0.001","10.969","0.001","90","","102.5","0.01","90","","1782.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","1.5418","CuKα","","0.0667","0.0441","","","0.1163","0.1274","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506031","7.996","0.005","17.12","0.009","12.331","0.007","90","","105.079","0.002","90","","1629.9","1.6","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","0.7107","MoKα","","0.0627","0.0599","","","0.1584","0.1598","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506032","10.7767","0.0007","11.674","0.0007","20.8192","0.0013","80.392","0.004","86.826","0.004","76.503","0.003","2510.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","hexyl bromo calixarene, acetonitrile","","- C54 H63 Br4 N O8 -","- C54 H63 Br4 N O8 -","- C108 H126 Br8 N2 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0424","0.033","","","0.0823","0.0877","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506033","10.4432","0.0015","15.049","0.002","16.32","0.002","90","","97.977","0.003","90","","2540","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexyl bromo calixarene, dichloromethane","","- C53 H62 Br4 Cl2 O8 -","- C53 H62 Br4 Cl2 O8 -","- C106 H124 Br8 Cl4 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.1046","0.0447","","","0.0596","0.0674","","","","","","0.735","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506034","18.3708","0.0007","18.3708","0.0007","19.8745","0.0015","90","","90","","90","","6707.4","0.6","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","NS 1 pentyl calixarene + acetonitrile","","- C78 H85 N7 O8 -","- C78 H85 N7 O8 -","- C312 H340 N28 O32 -","4","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0744","0.0514","","","0.1234","0.1353","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506035","23.356","0.0016","22.1519","0.0016","25.5165","0.0016","90","","94.302","0.004","90","","13164.5","1.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","NS 14 pentyl calixarene (+ octanedioic acid)","","- C75.5 H90 N4 O11.5 -","- C75.5 H90 N4 O11.5 -","- C604 H720 N32 O92 -","8","2","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.2531","0.0929","","","0.2051","0.268","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506036","8.5273","0.0007","12.8564","0.001","20.441","0.0016","90","","90","","90","","2241","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06013","","","- C23 H27 N O8 -","- C23 H27 N O8 -","- C92 H108 N4 O32 -","4","1","","Sydorenko, Nadiya; Hsung, Richard P.; Vera, Eymi L.","Torquoselective 6pi-electron electrocyclic ring closure of 1-azatrienes containing acyclic chirality at the C-terminus.","Organic letters","2006","8","12","2611","2614","10.1021/ol060932t","","","0.71073","MoKα","","0.0377","0.0288","","","0.0646","0.07","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506037","10.458","0.0003","17.824","0.0005","21.122","0.0007","90","","90","","90","","3937.2","0.2","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37.4 H45.85 Cl2.95 N2 O7 -","- C37.4 H45.85 Cl2.95 N2 O7 -","- C149.6 H183.4 Cl11.8 N8 O28 -","4","1","","McCubbin, J. Adam; Maddess, Matthew L.; Lautens, Mark","Total synthesis of cryptophycin analogues via a scaffold approach.","Organic letters","2006","8","14","2993","2996","10.1021/ol0609356","","","0.71073","MoKα","","0.1032","0.0479","","","0.0953","0.1167","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506038","37.51","0.03","9.04","0.02","11.09","0.02","90","","103.8","0.2","90","","3652","11","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C160 H192 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.1094","","","","0.2667","","","","","","1.856","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506039","9.238","0.002","13.245","0.002","13.418","0.002","90","","93.79","0.01","90","","1638.2","0.5","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.053","","","","0.1336","","","","","","1.198","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506040","16.779","0.003","23.256","0.003","8.243","0.003","90","","90","","90","","3216.5","1.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0562","","","","0.1497","","","","","","1.243","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506041","27.767","0.003","6.363","0.003","18.784","0.003","90","","119.888","0.007","90","","2877.4","1.5","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0545","","","","0.1525","","","","","","1.199","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506042","8.7871","0.0003","12.6298","0.0004","13.6796","0.0005","90","","96.098","0.001","90","","1509.56","0.09","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0684","","","","0.1607","","","","","","2.354","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506043","10.75","0.002","10.912","0.002","17.685","0.004","91.03","0.03","104.31","0.03","107.76","0.03","1904.5","0.8","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H39 F8 N6 O4 -","- C40.04 H35 F8 N6 O4 -","- C80.08 H70 F16 N12 O8 -","2","1","","Samaroo, Diana; Soll, Clifford E.; Todaro, Louis J.; Drain, Charles M.","Efficient microwave-assisted synthesis of amine-substituted tetrakis(pentafluorophenyl)porphyrin.","Organic letters","2006","8","22","4985","4988","10.1021/ol060946z","","","0.71073","MoKα","","0.1233","0.068","","","0.1305","0.1524","","","","","","1.026","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506044","8.6243","0.0011","12.1688","0.0016","20.438","0.003","90","","100.164","0.003","90","","2111.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0584","0.0411","","","0.1166","0.129","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506045","19.552","0.002","7.7459","0.0008","13.2549","0.0014","90","","97.737","0.002","90","","1989.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0753","0.0509","","","0.1471","0.1678","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506046","8.0128","0.0008","17.9993","0.0019","14.4781","0.0015","90","","100.899","0.002","90","","2050.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0744","0.0593","","","0.1613","0.1733","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506047","10.2128","0.001","14.5819","0.0014","26.706","0.003","90","","90","","90","","3977.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C160 H256 O24 Si8 -","8","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0667","0.0564","","","0.1571","0.1683","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506048","13.2975","0.0011","6.2587","0.0004","23.837","0.002","90","","104.319","0.002","90","","1922.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.7107","MoKα","","0.0799","0.0729","","","0.1987","0.2068","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506049","7.9917","0.0013","10.5745","0.0018","23.462","0.004","90","","90","","90","","1982.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br I N O -","- C7 H11 Br I0.75 N O -","- C56 H88 Br8 I6 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0943","0.0738","","","0.1971","0.2084","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506050","8.0936","0.0006","10.7502","0.0008","23.5836","0.0017","90","","90","","90","","2052","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H11 I2 N O -","- C7 H11 I2 N O -","- C56 H88 I16 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0643","0.0565","","","0.1377","0.1424","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506051","5.763","0.0002","17.0035","0.0008","25.3668","0.0011","90","","90","","90","","2485.72","0.18","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I N2 O5 -","- C26 H27 I N2 O5 -","- C104 H108 I4 N8 O20 -","4","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.0661","0.0354","","","0.0565","0.0627","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506052","11.6497","0.0011","5.8377","0.0006","13.4469","0.0014","90","","100.394","0.005","90","","899.48","0.16","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H25 I N2 O5 -","- C16 H25 I N2 O5 -","- C32 H50 I2 N4 O10 -","2","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.1059","0.0998","","","0.2443","0.2546","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506053","6.5081","0.0013","11.812","0.002","27.375","0.006","90","","90","","90","","2104.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O -","- C24 H40 N2 O -","- C96 H160 N8 O4 -","4","1","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.1109","0.0974","","","0.2399","0.2486","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506054","13.85","0.004","6.406","0.002","13.724","0.004","90","","120.28","0.003","90","","1051.5","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H38 N2 O -","- C23 H38 N2 O -","- C46 H76 N4 O2 -","2","0.5","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.0451","0.042","","","0.1098","0.1123","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506055","18.5273","0.0007","10.3442","0.0005","21.1903","0.001","90","","105.931","0.004","90","","3905.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 O P2 Pt -","- C48 H50 O P2 Pt -","- C192 H200 O4 P8 Pt4 -","4","1","","Theophanous, Fanitsa A.; Tasiopoulos, Anastasios J.; Nicolaides, Athanassios; Zhou, Xin; Johnson, William T. G.; Borden, Weston Thatcher","Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex.","Organic letters","2006","8","14","3001","3004","10.1021/ol060994j","","","0.71073","MoKα","","0.0275","0.0194","","","0.0438","0.0449","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506056","12.005","0.001","18.675","0.001","10.778","0.001","90","","90","","90","","2416.4","0.3","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C96 H148 N4 O12 -","4","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0724","0.0528","","","0.1182","0.1352","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506057","9.914","0.001","14.093","0.001","38.171","0.001","90","","90","","90","","5333.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N O3 -","- C27 H34 Br N O3 -","- C216 H272 Br8 N8 O24 -","8","2","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0512","0.0478","","","0.1277","0.1315","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506058","11.065","0.001","13.713","0.001","11.397","0.001","90","","103.09","0.01","90","","1684.4","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O2 Sn -","- C37 H41 N O2 Sn -","- C74 H82 N2 O4 Sn2 -","2","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","0.71073","MoKα","","0.0258","0.0236","","","0.0544","0.0557","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506059","11.1254","0.0006","11.9304","0.0009","17.898","0.0011","82.322","0.005","82.065","0.004","77.051","0.005","2280","0.3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N3 P Pd -","- C24 H23 Cl N3 P Pd -","- C96 H92 Cl4 N12 P4 Pd4 -","4","2","","Detz, Remko J.; Heras, Silvia Arévalo; de Gelder, R.; van Leeuwen, Piet W. N. M.; Hiemstra, Henk; Reek, Joost N. H.; van Maarseveen, Jan H.","""Clickphine"": a novel and highly versatile P,N ligand class via click chemistry.","Organic letters","2006","8","15","3227","3230","10.1021/ol061015q","","","0.71073","MoKα","","0.0498","0.0327","","0.0616","0.0565","0.0616","","","1.095","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506060","8.6041","0.0004","8.753","0.0004","11.3766","0.0005","90","","91.616","0.003","90","","856.45","0.07","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","1.54178","CuKα","","0.0414","0.0413","","","0.099","0.0992","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506061","9.76","0.0006","5.6869","0.0004","20.27","0.0013","90","","100.459","0.003","90","","1106.38","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O9 -","- C20 H31 N O9 -","- C40 H62 N2 O18 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","0.71073","MoKα","","0.0524","0.0439","","","0.1102","0.1165","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506062","13.965","0.003","11.125","0.002","10.379","0.002","90","","93.433","0.003","90","","1609.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 N4 O6 S2 -","- C30 H32 F6 N4 O6 S2 -","- C60 H64 F12 N8 O12 S4 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0574","0.0527","","","0.1454","0.1501","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506063","16.398","0.004","19.247","0.005","7.534","0.002","90","","103.169","0.004","90","","2315.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F12 N6 O12 S4 -","- C36 H40 F12 N6 O12 S4 -","- C72 H80 F24 N12 O24 S8 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0922","0.0659","","","0.1824","0.1943","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506064","24.254","0.005","6.6426","0.0012","17.061","0.003","90","","125.009","0.008","90","","2251.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C23.5 H31 Cl N2 O1.5 -","- C23.5 H31 Cl N2 O1.5 -","- C94 H124 Cl4 N8 O6 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.1464","0.0934","","","0.2344","0.2786","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506065","5.3977","0.0006","12.8158","0.0013","24.189","0.003","90","","90","","90","","1673.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl N2 O -","- C17 H25 Cl N2 O -","- C68 H100 Cl4 N8 O4 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.0741","0.0429","","","0.0915","0.1067","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506066","25.699","0.005","9.435","0.0019","15.604","0.003","90","","98.96","0.03","90","","3737.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 N3 O3 -","- C18 H14 F3 N3 O3 -","- C144 H112 F24 N24 O24 -","8","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0883","0.0404","","","0.0804","0.0873","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506067","13.072","0.003","7.8287","0.0016","15.19","0.003","90","","97.86","0.03","90","","1539.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N3 O3 -","- C14 H14 F3 N3 O3 -","- C56 H56 F12 N12 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.068","0.0416","","","0.1012","0.108","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506068","11.279","0.002","13.083","0.003","13.556","0.003","101.72","0.03","108.92","0.03","106.31","0.03","1718.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","2","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.1318","0.0559","","","0.1296","0.1475","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506069","10.701","0.002","9.1912","0.0018","17.628","0.004","90","","90.69","0.03","90","","1733.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0989","0.0379","","","0.0745","0.0838","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506070","5.7583","0.001","8.5763","0.0015","30.482","0.006","90","","90.316","0.004","90","","1505.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Liu, Yuanhong; Liu, Meina; Guo, Shenghai; Tu, Huamin; Zhou, Yebing; Gao, Hongjun","Gold-catalyzed highly efficient access to 3(2H)-furanones from 2-oxo-3-butynoates and related compounds.","Organic letters","2006","8","16","3445","3448","10.1021/ol061059z","","","0.71073","MoKα","","0.1379","0.0457","","","0.0583","0.0734","","","","","","0.76","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506071","10.6655","0.0004","9.6467","0.0004","17.6175","0.0007","90","","91.198","0.001","90","","1812.21","0.12","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Shukla, Krupa H.; Boehmler, Debra J.; Bogacyzk, Suzanne; Duvall, Bridget R.; Peterson, William A.; McElroy, William T.; Deshong, Philip","Application of palladium-catalyzed allylic arylation to the synthesis of a (+/-)-7-deoxypancratistatin analogue.","Organic letters","2006","8","19","4183","4186","10.1021/ol061070z","","","0.71073","MoKα","","0.0445","0.0332","","","0.0883","0.0963","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506072","5.424","0.002","7.937","0.003","11.566","0.005","90","","90.737","0.005","90","","497.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C18 H30 N2 O6 -","2","1","","Moriarty, Robert M.; Mitan, Carmen I.; Branza-Nichita, Norica; Phares, Kenneth R.; Parrish, Damon","exo-Imino to endo-iminocyclitol rearrangement. A general route to five-membered antiviral azasugars.","Organic letters","2006","8","16","3465","3467","10.1021/ol061071r","","","0.71073","MoKα","","0.1003","0.0844","","","0.2137","0.231","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506073","10.921","0.007","11.884","0.006","23.835","0.015","90","","102.14","0.02","90","","3024","3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O6 S -","- C32 H42 O6 S -","- C128 H168 O24 S4 -","4","2","","Hutchison, John M.; Lindsay, Harriet A.; Dormi, Silvana S.; Jones, Gavin D.; Vicic, David A.; McIntosh, Matthias C.","Approach to the synthesis of cladiell-11-ene-3,6,7-triol.","Organic letters","2006","8","17","3663","3665","10.1021/ol061072j","","","0.7107","MoKα","","0.1651","0.1436","","","0.3995","0.4212","","","","","","1.408","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506074","7.7457","0.0006","8.3807","0.0006","15.1631","0.0012","85.166","0.002","89.549","0.002","74.976","0.001","947.18","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0584","0.0459","","","0.1193","0.1257","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506075","12.7805","0.0007","14.9966","0.0009","13.5072","0.0008","90","","114.749","0.001","90","","2351.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O2 S -","- C28 H25 N3 O2 S -","- C112 H100 N12 O8 S4 -","4","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0857","0.0491","","","0.0829","0.0907","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506076","18.5086","0.0004","28.6914","0.0006","22.5474","0.0005","90","","110.452","0.001","90","","11218.8","0.4","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 N2 O17 -","- C58 H72 N2 O17 -","- C464 H576 N16 O136 -","8","2","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.1528","0.0795","","","0.1749","0.2292","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506077","6.3417","0.0001","20.5313","0.0003","9.4744","0.0002","90","","96.329","0.001","90","","1226.08","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71069","MoKα","","0.0683","0.0493","","","0.1584","0.1903","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506078","12.2013","0.0002","12.9722","0.0002","14.3899","0.0003","90.857","0.001","92.236","0.001","116.566","0.001","2034.24","0.06","100","1","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C58 H70 Ag4 Cl6 F12 N4 O32 S4 -","2","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.0282","0.0258","","","0.0698","0.0726","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506079","8.8645","0.0002","24.7243","0.0008","11.4315","0.0003","90","","107.699","0.0017","90","","2386.84","0.12","150","2","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl2 N O2 -","- C28 H25 Cl2 N O2 -","- C112 H100 Cl8 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0837","0.0485","","","0.1215","0.142","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506080","9.1635","0.0003","18.2658","0.0009","13.7298","0.0006","90","","100.675","0.002","90","","2258.3","0.17","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F N O2 -","- C28 H26 F N O2 -","- C112 H104 F4 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0985","0.0517","","","0.1258","0.1523","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506081","17.5451","0.0012","16.2722","0.0011","7.3076","0.0005","90","","90","","90","","2086.3","0.2","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","","","Persson, Tobias; Nielsen, John","Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.","Organic letters","2006","8","15","3219","3222","10.1021/ol0611088","","","0.71073","MoKα","","0.0423","0.04","","","0.095","0.0964","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506082","22.425","0.002","12.731","0.0011","13.8126","0.0013","90","","105.313","0.008","90","","3803.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 S2 Si -","- C15 H28 O2 S2 Si -","- C120 H224 O16 S16 Si8 -","8","2","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0953","0.0587","","","0.1533","0.1777","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506083","10.921","0.003","6.2036","0.0017","11.144","0.003","90","","96.59","0.02","90","","750","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0982","0.0523","","","0.1365","0.1666","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506084","25.555","0.003","7.2399","0.0009","15.3012","0.0018","90","","122.954","0.002","90","","2375.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C100 H136 N8 O20 S4 -","4","1","","Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew","Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I).","Organic letters","2006","8","17","3647","3650","10.1021/ol061113b","","","0.71073","MoKα","","0.0514","0.0457","","","0.1105","0.1133","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506085","9.608","0.005","9.883","0.005","10.123","0.004","82.041","0.019","80.51","0.019","75.84","0.02","914.4","0.8","296","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Ma, Cheng; Ding, Hanfeng; Wang, Yanguang","Novel annulation reactions of aryl methyl ketenes with zwitterions derived from dimethyl acetylenedicarboxylate and N-alkylimidazoles.","Organic letters","2006","8","14","3133","3136","10.1021/ol061126p","","","0.71075","MoKα","","","0.0442","","","","0.1311","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506086","7.2133","0.0014","7.3959","0.0014","20.115","0.004","83.451","0.012","83.335","0.013","71.708","0.011","1008.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O6 -","- C19 H18 Fe N2 O6 -","- C38 H36 Fe2 N4 O12 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.2017","0.1244","","","0.25","0.2864","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506087","7.3427","0.0002","10.3573","0.0002","12.6116","0.0003","69.111","0.001","86.301","0.001","87.873","0.001","894.11","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br Fe N O3 -","- C16 H20 Br Fe N O3 -","- C32 H40 Br2 Fe2 N2 O6 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.0716","0.0608","","","0.179","0.1929","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506088","8.735","0.0009","9.2712","0.001","8.869","0.0009","90","","91.718","0.002","90","","717.92","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carbonitrile","","- C7 H4 N4 O -","- C7 H4 N4 O -","- C28 H16 N16 O4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0534","0.049","","","0.1401","0.1444","","","","","","1.049","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506089","8.7912","0.0013","9.3385","0.0014","9.2179","0.0014","90","","92.242","0.003","90","","756.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile","","- C7 H4 N4 S -","- C7 H4 N4 S -","- C28 H16 N16 S4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0564","0.0469","","","0.1149","0.1201","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506090","7.3028","0.0007","15.7135","0.0015","15.8041","0.0015","90","","97.973","0.002","90","","1796","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C20 H20 N2 O3 -","- C16 H16 N6 O7 -","- C64 H64 N24 O28 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0631","0.0557","","","0.1441","0.1478","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506091","16.4842","0.0006","16.4842","0.0006","40.118","0.003","90","","90","","120","","9440.7","0.9","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","5-Thiophen-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C8 H7 N3 O2.5 S -","- C8 H7 N3 O2.5 S -","- C288 H252 N108 O90 S36 -","36","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0864","0.0551","","","0.1487","0.1612","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506092","7.2348","0.0004","11.4471","0.0008","17.678","0.0011","90","","92.633","0.002","90","","1462.5","0.16","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Cyclohexylmethyl-5-phenyl-2H-[1,2,3]triazole-4-carbonitrile","","- C16 H12 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0977","0.0622","","","0.139","0.1572","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506093","13.755","0.004","15.225","0.005","6.878","0.002","90","","104.48","","90","","1394.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzyl-8-chloro-2H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.1151","0.0702","","","0.1244","0.1399","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506094","8.3146","0.0011","5.634","0.0008","29.131","0.004","90","","93.396","0.003","90","","1362.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzyl-8-chloro-3H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0471","0.0416","","","0.106","0.11","","","","","","1.031","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506095","17.0442","0.0016","5.7349","0.0005","7.3883","0.0007","90","","95.037","0.002","90","","719.39","0.11","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-2H-[1,2,3]triazole","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0482","0.0446","","","0.1112","0.1135","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506096","13.352","0.0006","13.352","0.0006","12.1413","0.0007","90","","90","","120","","1874.51","0.16","193","","193","","","","","","","","","3","P 32","P 32","145","","7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester","","- C26 H26 O10 -","- C26 H26 O10 -","- C78 H78 O30 -","3","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0248","0.0247","","","0.067","0.0671","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506097","10.5522","0.0006","13.1153","0.0006","21.9409","0.0011","90","","90","","90","","3036.5","0.3","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0525","0.0405","","","0.1061","0.1176","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506098","8.9947","0.0008","10.8105","0.0012","13.9124","0.0015","81.632","0.01","73.88","0.009","67.096","0.007","1196.1","0.2","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C44 H72 O16 -","- C44 H72 O16 -","- C44 H72 O16 -","1","1","","Smith, 3rd, Amos B; Simov, Vladimir","Total synthesis of the marine natural product (-)-clavosolide A. A showcase for the Petasis-Ferrier union/rearrangement tactic.","Organic letters","2006","8","15","3315","3318","10.1021/ol0611752","","","0.71069","MoKα","","0.0601","0.0385","","","0.0751","0.0858","","","","","","0.838","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506099","17.027","0.005","8.768","0.005","22.235","0.005","90","","99.014","0.005","90","","3279","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N4 O7 S2 -","- C33 H36 N4 O7 S2 -","- C132 H144 N16 O28 S8 -","4","1","","Lomberget, Thierry; Baragona, Fabien; Fenet, Bernard; Barret, Roland","[3+2] versus [4+2] cycloadditions of quinone monoimide with azadienes: a Lewis acid-free access to 5-amino-2,3-dihydrobenzofuranes.","Organic letters","2006","8","18","3919","3922","10.1021/ol061184a","","x-ray","0.71069","MoKα","","0.0913","0.0504","","0.0886","0.0596","0.0596","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506100","12.4745","0.0003","8.5332","0.0002","16.1449","0.0005","90","","108.536","0.002","90","","1629.43","0.08","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.0663","0.0398","","","0.0934","0.108","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506101","6.2294","0.0005","17.619","0.0011","14.104","0.002","90","","90","","90","","1548","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H17 N2 -","- C21 H17 N2 -","- C84 H68 N8 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.1653","0.0677","","","0.112","0.1409","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506102","7.697","0.004","13.53","0.006","15.046","0.004","90","","104.33","0.02","90","","1518.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 B N O4 -","- C16 H16 B N O4 -","- C64 H64 B4 N4 O16 -","4","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0711","0.046","","","0.1304","0.1518","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506103","7.802","0.003","7.873","0.003","12.734","0.006","74.89","0.03","75.2","0.02","75.97","0.03","717","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 B N O -","- C18 H18 B N O -","- C36 H36 B2 N2 O2 -","2","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0552","0.0432","","","0.1103","0.1205","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506104","15.42","0.002","6.561","0.003","23.85","0.008","90","","90","","90","","2412.9","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 B N3 -","- C14 H12 B N3 -","- C112 H96 B8 N24 -","8","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0605","0.0438","","","0.1069","0.1187","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506105","11.907","0.004","5.6848","0.0016","12.95","0.004","90","","92.517","0.005","90","","875.7","0.5","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N -","- C12 H11 N -","- C48 H44 N4 -","4","1","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.0611","0.0517","","","0.132","0.139","","","","","","1.072","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506106","5.538","0.003","9.573","0.005","25.815","0.014","90","","87.27","0.012","90","","1367","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N -","- C18 H17 N -","- C72 H68 N4 -","4","2","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.2243","0.0823","","","0.1743","0.2167","","","","","","0.829","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506107","9.6027","0.0014","10.0645","0.0016","11.093","0.0017","110.209","0.003","109.26","0.003","101.701","0.003","887","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","2","","Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R.","Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes.","Organic letters","2006","8","15","3351","3354","10.1021/ol061223i","","x-ray","0.71073","MoKα","","0.0576","0.0492","","","0.1158","0.122","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506108","12.5773","0.0013","13.0527","0.0014","14.9394","0.0016","103.581","0.002","103.794","0.002","113.814","0.002","2022.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O9 -","- C48 H42 N2 O9 -","- C96 H84 N4 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1533","0.0574","","","0.118","0.1523","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506109","12.1293","0.0007","13.3588","0.0008","13.7337","0.0008","68.826","0.001","83.025","0.001","75.297","0.001","2006","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N3 O9 -","- C47 H41 N3 O9 -","- C94 H82 N6 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1738","0.061","","","0.136","0.1795","","","","","","0.911","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506110","9.019","0.002","10.726","0.003","14.449","0.004","90","","105.111","0.004","90","","1349.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O8 -","- C26 H30 N5 O8 -","- C52 H60 N10 O16 -","2","1","","Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang","G-quartet formation from an N2-modified guanosine derivative","Organic Letters","2006","8","17","3685","3688","10.1021/ol061236w","","","0.71073","MoKα","","0.0919","0.0551","","","0.1266","0.1405","","","","","","0.942","","","","has coordinates","218622","2020-10-21","18:00:00",""
"1506111","13.1985","0.0015","13.4944","0.0015","13.9409","0.0016","65.224","0.002","68.024","0.002","67.455","0.002","2013.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N O -","- C13 H25 N O -","- C78 H150 N6 O6 -","6","3","","Halliday, Jill I.; Chebib, Mary; Turner, Peter; McLeod, Malcolm D.","Double-Mannich annulation of cyclic ketones using N,N-Bis(ethoxymethyl)alkylamine reagents.","Organic letters","2006","8","15","3399","3401","10.1021/ol061242s","","","0.71069","MoKα","","0.1147","0.0814","","","0.2031","0.2188","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506112","11.0066","0.0001","14.624","0.0002","17.8129","0.0002","100.328","0.0007","103.636","0.0009","97.9031","0.0009","2692.32","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br2 N4 O4 -","- C26 H28 Br2 N4 O4 -","- C104 H112 Br8 N16 O16 -","4","2","","Yasui, Yoshizumi; Frantz, Derik K.; Siegel, Jay S.","Synthesis of 4,4'-bisaryl-2,2'-bisbenzimidazoles as building blocks for supramolecular structures.","Organic letters","2006","8","22","4989","4992","10.1021/ol061244c","","","0.71073","MoKα","","0.0689","0.0418","","","0.0945","0.1061","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506113","9.881","0.003","8.283","0.003","20.714","0.007","90","","97.71","0.006","90","","1680","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Huntley, Raymond J.; Funk, Raymond L.","Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines.","Organic letters","2006","8","15","3403","3406","10.1021/ol061259a","","","0.71073","MoKα","","0.0593","0.0441","","","0.1055","0.1142","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506114","8.4416","0.0005","8.4416","0.0005","24.5449","0.0014","90","","90","","90","","1749.08","0.18","143","1","143","1","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0285","0.0263","","","0.059","0.0602","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506115","7.346","0.0008","15.884","0.002","16.299","0.002","90","","90","","90","","1901.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0379","0.0306","","","0.0593","0.0618","","","","","","0.897","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506116","8.044","0.01","11.217","0.014","13.883","0.018","74.69","0.02","77.23","0.02","85.51","0.02","1178","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Br Cl2 N5 O5 -","- C20 H21 Br Cl2 N5 O5 -","- C40 H42 Br2 Cl4 N10 O10 -","2","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0908","0.074","","","0.1969","0.2061","","","","","","0.98","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506117","14.765","0.006","22.301","0.008","9.509","0.004","90","","97.598","0.008","90","","3104","2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","2","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.1204","0.0601","","","0.1135","0.1257","","","","","","0.716","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506118","8.357","0.004","17.641","0.009","12.509","0.007","90","","102.708","0.009","90","","1799","1.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O5 S -","- C19 H21 N O5 S -","- C76 H84 N4 O20 S4 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0935","0.0647","","","0.1339","0.148","","","","","","1.027","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506119","14.116","0.018","11.11","0.02","8.36","0.02","90","","94.55","0.12","90","","1307","4","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0664","0.0501","","","0.1226","0.1321","","","","","","1.041","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506120","14.922","0.004","8.735","0.002","17.45","0.005","90","","94.143","0.004","90","","2268.6","1","297","2","297","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 -","- C35 H22 -","- C140 H88 -","4","1","","Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei","Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction.","Organic letters","2006","8","17","3701","3704","10.1021/ol061268j","","","0.71073","MoKα","","0.0594","0.0402","","","0.1017","0.1152","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506121","9.244","0.0007","9.5634","0.001","13.502","0.002","90","","106.642","0.006","90","","1143.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)oxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]urea","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C48 H64 N8 O4 -","2","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0803","0.0484","","","0.0965","0.1063","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506122","7.5688","0.0003","9.5287","0.0004","33.9726","0.0014","90","","90","","90","","2450.13","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)thioxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]thiourea","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C96 H128 N16 S8 -","4","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0825","0.0403","","","0.0709","0.0967","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506123","31.189","0.005","16.501","0.003","14.102","0.002","90","","113.036","0.004","90","","6678.9","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N3 O9 -","- C34 H46 N3 O9 -","- C272 H368 N24 O72 -","8","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1465","0.0514","","","0.085","0.0966","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506124","20.041","0.008","9.284","0.004","21.351","0.008","90","","104.917","0.007","90","","3839","3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27.5 H28 Cl4 I N3 O4 -","- C27.5 H28 Cl4 I N3 O4 -","- C110 H112 Cl16 I4 N12 O16 -","4","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1665","0.0746","","","0.2419","0.2622","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506125","6.0242","0.0005","21.4235","0.0019","11.8956","0.0009","90","","93.449","0.005","90","","1532.5","0.2","150","","150","","","","","","","","P. Joensuu PJD784","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.069","0.0442","","0.1018","0.095","0.1018","","","","","","0.8861","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506126","15.7502","0.0007","6.1392","0.0003","17.0116","0.0007","90","","99.577","0.003","90","","1621.99","0.13","150","","150","","","","","","","","Gordon Murray, GJM6/36/1","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0684","0.0446","","0.1086","0.1025","0.1086","","","","","","0.8598","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506127","11.8348","0.0005","6.7889","0.0003","21.2326","0.0011","90","","93.852","0.003","90","","1702.09","0.14","150","","150","","","","","","","","Euan Fordyce EAFF21002A","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0729","0.0517","","0.1351","0.1265","0.1351","","","","","","0.895","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506128","17.04","0.002","11.32","0.001","25.137","0.002","90","","97.135","0.006","90","","4811.2","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F2 N2 O4 -","- C62 H56 F2 N2 O4 -","- C248 H224 F8 N8 O16 -","4","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","x-ray","1.54178","CuKα","","0.0735","0.0519","","","0.1192","0.1321","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506129","7.8097","0.0004","12.1717","0.0007","18.252","0.001","75.605","0.001","80.791","0.001","80.205","0.001","1643.37","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 F4 N2 O4 -","- C39.999 H38 F4 N2 O4 -","- C79.998 H76 F8 N4 O8 -","2","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","","0.71073","MoKα","","0.1145","0.1025","","","0.1826","0.188","","","","","","1.375","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506130","15.134","0.01","25.283","0.016","11.758","0.007","90","","90","","90","","4499","5","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.1042","0.0636","","","0.1211","0.1382","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506131","21.57","0.005","8.3502","0.0019","23.271","0.005","90","","90","","90","","4191.4","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.06","0.0393","","","0.0791","0.0881","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506132","12.903","0.004","15.659","0.005","17.267","0.006","98.252","0.006","103.842","0.006","108.822","0.005","3112.5","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","4","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.058","0.0454","","","0.1133","0.1208","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506133","14.231","0.003","11.851","0.002","27.763","0.006","90","","90.34","0.03","90","","4682.2","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 S2 -","- C51 H58 B2 S2 -","- C204 H232 B8 S8 -","4","0.5","","Zhou, Zhiguo; Xiao, Shuzhang; Xu, Jia; Liu, Zhiqiang; Shi, Mei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Modulation of the photochromic property in an organoboron-based diarylethene by a fluoride ion.","Organic letters","2006","8","18","3911","3914","10.1021/ol061370g","","","0.71073","MoKα","","0.0665","0.0459","","","0.133","0.1468","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506134","7.577","0.008","8.208","0.011","13.461","0.015","90","","97.796","0.01","90","","829.4","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 O4 Si -","- C14 H26 O4 Si -","- C28 H52 O8 Si2 -","2","1","","Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B.","Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II.","Organic letters","2006","8","17","3781","3784","10.1021/ol061377y","","","0.71073","MoKα","","0.0723","0.0553","","","0.1129","0.12","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506135","9.1848","0.0009","10.3498","0.0003","18.4659","0.0005","90","","90","","90","","1755.38","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C72 H96 N4 O12 -","4","1","","Matsumura, Yoshihiro; Ogura, Kanako; Kouchi, Yoshimi; Iwasaki, Fumiaki; Onomura, Osamu","New efficient organic activators for highly enantioselective reduction of aromatic ketones by trichlorosilane.","Organic letters","2006","8","17","3789","3792","10.1021/ol0613822","","","0.7107","MoKα","","","0.0416","","","","0.0901","","","","","","1.306","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506136","6.365","0.003","14.361","0.004","19.468","0.007","90","","90","","90","","1779.5","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Boukouvalas, John; Pouliot, Martin; Robichaud, Joël; MacNeil, Stephen; Snieckus, Victor","Asymmetric total synthesis of (-)-panacene and correction of its relative configuration.","Organic letters","2006","8","16","3597","3599","10.1021/ol061385e","","","1.54178","CuKα","","0.0867","0.0423","","","0.0923","0.106","","","","","","0.759","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506137","30.159","0.005","8.8874","0.0014","20.568","0.003","90","","124.276","0.003","90","","4555.5","1.2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C200 H184 N24 O40 -","8","2","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.109","0.0528","","","0.0578","0.0697","","","","","","0.824","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506138","11.1824","0.0018","11.3032","0.0018","12.902","0.002","105.247","0.004","107.724","0.004","93.027","0.004","1482.9","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.1157","0.0666","","","0.1327","0.1578","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506139","12.0635","0.0006","9.7402","0.0006","25.188","0.002","90","","98.39","0.003","90","","2927.9","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.71073","MoKα","","0.1934","0.1119","","","0.1899","0.2003","","","","","","2.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506140","21.944","0.0004","9.183","0.0002","15.902","0.0004","90","","99.197","0.0007","90","","3163.25","0.12","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N2 O5.5 -","- C15 H20.5 N2 O5.5 -","- C120 H164 N16 O44 -","8","1","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.7107","MoKα","","0.1616","0.0964","","","0.2159","0.2271","","","","","","2.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506141","12.6761","0.0011","9.1007","0.0008","7.4679","0.0007","90","","93.289","0.002","90","","860.09","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N3 O -","- C8 H6 Cl N3 O -","- C32 H24 Cl4 N12 O4 -","4","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0769","0.0517","","","0.1349","0.1489","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506142","9.2953","0.0003","10.7596","0.0003","10.7786","0.0002","93.674","0.001","110.314","0.001","111.876","0.001","914.7","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N3 O -","- C8 H6 Br N3 O -","- C32 H24 Br4 N12 O4 -","4","2","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0765","0.0372","","","0.0853","0.0978","","","","","","0.924","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506143","10.5307","0.0009","7.9709","0.0007","29.396","0.003","90","","90","","90","","2467.5","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.1045","0.0517","","","0.1428","0.1667","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506144","5.9414","0.0005","14.8154","0.0013","26.69","0.002","90","","90","","90","","2349.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0967","0.045","","","0.0825","0.0972","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506145","16.754","0.003","6.7136","0.0014","25.22","0.005","90","","96.207","0.003","90","","2820.1","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O3 P2 -","- C36 H26 O3 P2 -","- C144 H104 O12 P8 -","4","1","","Vecchi, Paul A.; Padmaperuma, Asanga B.; Qiao, Hong; Sapochak, Linda S.; Burrows, Paul E.","A dibenzofuran-based host material for blue electrophosphorescence.","Organic letters","2006","8","19","4211","4214","10.1021/ol0614121","","","0.71073","MoKα","","0.0574","0.0432","","","0.1145","0.1242","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506146","20.8896","0.0007","8.0132","0.0004","11.049","0.0004","90","","111.737","0.003","90","","1718.01","0.13","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","x-ray","0.71073","MoKα","","0.053","0.0483","","","0.1182","0.1234","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506147","15.6987","0.0002","7.7054","0.0001","29.3165","0.0003","90","","90","","90","","3546.26","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H30 O4 -","- C18 H30 O4 -","- C144 H240 O32 -","8","2","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","","0.71073","MoKα","","0.1069","0.0958","","","0.2327","0.2434","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506148","11.0388","0.0014","12.2504","0.0015","15.617","0.002","90","","99.91","0.002","90","","2080.4","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C96 H108 N12 O16 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0509","0.0446","","","0.1169","0.1213","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506149","15.568","0.003","8.5131","0.0016","15.752","0.003","90","","116.33","0.004","90","","1871.1","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0868","0.054","","","0.1264","0.1402","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506150","9.323","0.004","9.372","0.004","23.298","0.009","90","","92.139","0.007","90","","2034.2","1.5","108","2","108","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O7 -","- C20 H28 N2 O7 -","- C80 H112 N8 O28 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0952","0.0611","","","0.1339","0.1487","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506151","18.465","0.006","9.25","0.003","12.676","0.004","90","","110.308","0.006","90","","2030.5","1.1","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0466","0.0414","","","0.0966","0.0994","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506152","10.5361","0.001","11.1344","0.001","13.6933","0.0012","90","","108.702","0.001","90","","1521.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turrapubesin A","","","- C31 H39 Cl O9 -","- C31 H39 Cl O9 -","- C62 H78 Cl2 O18 -","2","1","","Wang, Xiao-Ning; Yin, Sheng; Fan, Cheng-Qi; Wang, Fang-Dao; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Turrapubesins A and B, first examples of halogenated and maleimide-bearing limonoids in nature from Turraea pubescens.","Organic letters","2006","8","17","3845","3848","10.1021/ol061466a","","","0.71073","MoKα","","0.0703","0.0585","","","0.1598","0.168","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506153","10.7956","0.0003","20.8712","0.0005","22.6826","0.0006","91.146","0.001","114.327","0.001","89.589","0.001","4656.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H86 N8 O Zn -","- C110 H86 N8 O Zn -","- C220 H172 N16 O2 Zn2 -","2","1","","Yen, Wei-Nan; Lo, Shang-Shih; Kuo, Ming-Cheng; Mai, Chi-Lun; Lee, Gene-Hsiang; Peng, Shie-Ming; Yeh, Chen-Yu","Synthesis, structure, and optical and electrochemical properties of star-shaped porphyrin-triarylamine conjugates.","Organic letters","2006","8","19","4239","4242","10.1021/ol061478w","","","0.71073","MoKα","","0.1224","0.0782","","","0.2235","0.2548","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506154","6.0952","0.0003","16.8339","0.0008","11.9653","0.0006","90","","96.885","0.002","90","","1218.86","0.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O2 Si -","- C27 H29 N O2 Si -","- C54 H58 N2 O4 Si2 -","2","1","","Cho, Chang-Woo; Krische, Michael J.","Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.","Organic letters","2006","8","17","3873","3876","10.1021/ol061485k","","","0.71073","MoKα","","0.0572","0.0389","","","0.0784","0.0859","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506155","6.3696","0.0002","7.2069","0.0002","29.1029","0.001","90","","90","","90","","1335.97","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3aR,5aR,7aS,10aS,10bS,10cR)-2-methoxy-2,3,3a,7a,8, 10a,10b,10c-octahydro-5aH-1,9-dioxa- dicyclopenta[a,h]naphthalen-10-one","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Felzmann, Wolfgang; Arion, Vladimir B.; Mieusset, Jean-Luc; Mulzer, Johann","A tether controlled exo-selective trans-annular Diels-Alder (TADA) reaction.","Organic letters","2006","8","17","3849","3851","10.1021/ol061510m","","","0.71073","MoKα","","0.0481","0.0388","","","0.0948","0.1003","","","","","","1.093","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506156","13.4544","0.0013","6.9898","0.0007","13.6325","0.0013","90","","95.487","0.002","90","","1276.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ye, Long-Wu; Sun, Xiu-Li; Zhu, Chun-Yin; Tang, Yong","Unexpected tandem ylide annulation reaction for controllable synthesis of 2H-chromenes and 4H-chromenes.","Organic letters","2006","8","17","3853","3856","10.1021/ol0615174","","","0.71073","MoKα","","0.067","0.0542","","","0.1479","0.158","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506157","7.103","0.001","13.709","0.001","14.869","0.001","90","","90","","90","","1447.9","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","","Das, Suven; Fröhlich, Roland; Pramanik, Animesh","Synthesis and fluorescent properties of a new class of heterocycles of isoindole fused imidazoles with phenolic subunits.","Organic letters","2006","8","19","4263","4266","10.1021/ol061520n","","","1.54178","CuKα","","0.0271","0.027","","","0.0724","0.0725","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506158","12.246","0.0003","23.6665","0.0006","11.8579","0.0003","90","","113.398","0.001","90","","3154.05","0.14","373","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O7 -","- C37 H32 N2 O7 -","- C148 H128 N8 O28 -","4","1","","Johns, Deidre M.; Mori, Makoto; Williams, Robert M.","Synthetic studies on quinine: quinuclidine construction via a ketone enolate regio- and diastereoselective Pd-mediated allylic alkylation.","Organic letters","2006","8","18","4051","4054","10.1021/ol061524s","","","0.71073","MoKα","","0.0858","0.0504","","","0.1184","0.1365","","","","","","1.007","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506159","8.777","0.001","13.634","0.002","12.888","0.002","90","","109.04","0.01","90","","1457.9","0.4","287","2","287","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Li, Guo-You; Li, Bo-Gang; Yang, Tao; Liu, Guang-Ye; Zhang, Guo-Lin","Chaetoindicins A-C, three isoquinoline alkaloids from the fungus Chaetomium indicum.","Organic letters","2006","8","16","3613","3615","10.1021/ol061525k","","","0.71073","MoKα","","0.0727","0.0417","","","0.0936","0.1008","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506160","5.6494","0.0001","20.1371","0.0002","13.3458","0.0002","90","","93.685","0.001","90","","1515.11","0.04","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Majumdar, K. C.; Alam, S.","Regioselective unusual formation of spirocyclic 4-{2'-benzo(2',3'-dihydro)furo}- 9-methyl-2,3,9-trihydrothiopyrano[2,3-b]indole by 4-exo-trig aryl radical cyclization and rearrangement.","Organic letters","2006","8","18","4059","4062","10.1021/ol061531g","","","0.71073","MoKα","","0.0476","0.0381","","","0.0984","0.1048","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506161","26.437","0.003","9.373","0.0011","19.0763","0.0016","90","","105.419","0.007","90","","4556.9","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 O8 -","- C50 H46 O8 -","- C200 H184 O32 -","4","0.5","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.155","0.1311","","","0.3004","0.3126","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506162","11.2074","0.0005","13.3796","0.001","16.7503","0.0011","81.543","0.004","77.386","0.004","89.998","0.004","2423.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H70 O9 -","- C53 H70 O9 -","- C106 H140 O18 -","2","1","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.0577","0.0428","","","0.1085","0.1172","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506163","9.214","0.005","10.191","0.005","9.606","0.007","90","","111.68","0.03","90","","838.2","0.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.101","0.0542","","","0.1197","0.1403","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506164","14.894","0.007","25.242","0.013","19.3","0.008","90","","110.11","0.04","90","","6814","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cl6 N4 O4 S2 -","- C56 H50 Cl6 N4 O4 S2 -","- C224 H200 Cl24 N16 O16 S8 -","4","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.3993","0.2166","","","0.466","0.5352","","","","","","1.293","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506165","6.126","0.002","7.3524","0.0013","29.508","0.005","90","","90","","90","","1329.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H20 B Na O9 -","- C7 H20 B Na O9 -","- C28 H80 B4 Na4 O36 -","4","1","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Gopee, Hemant; Harrison, Nicola L.; Hughes, David L.; Schubert, Christopher J.; Sutton, Benjamin M.; Watts, Gary L.; Whitehead, Andrew J.","Aryl trihydroxyborates: easily isolated discrete species convenient for direct application in coupling reactions.","Organic letters","2006","8","18","4071","4074","10.1021/ol061564w","","","0.71069","Mo-Kα","","0.042","0.0351","","","0.0802","0.0846","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506166","11.0011","0.0013","12.2123","0.0015","11.1592","0.0013","90","","97.2768","0.0018","90","","1487.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0419","0.0352","","","0.089","0.0945","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506167","6.0006","0.0008","8.0097","0.0011","14.4792","0.0019","90","","90.68","0.002","90","","695.86","0.16","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0444","0.0363","","","0.0748","0.0837","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506168","6.072","0.004","15.035","0.004","22.423","0.006","90","0.02","90","0.04","90","0.04","2047.1","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C92 H104 O24 -","4","1","","Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim.","Organic letters","2006","8","20","4453","4456","10.1021/ol061609t","","","0.71073","MoKα","","0.1322","0.0508","","","0.1281","0.1625","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506169","10.389","0.002","11.02","0.002","14.128","0.002","88.08","0.01","73.29","0.01","69.02","0.01","1442.1","0.5","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N2 O8 S2 -","- C26 H40 N2 O8 S2 -","- C52 H80 N4 O16 S4 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.087","","","","0.2231","","","","","","2.141","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506170","5.6042","0.0009","10.207","0.001","14.106","0.002","74.48","0.01","78.5","0.01","75.38","0.01","744.74","0.18","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O2.5 S1.5 -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1318","","","","0.325","","","","","","2.733","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506171","5.554","0.001","10.241","0.002","13.571","0.003","76.31","0.02","78.81","0.02","75.28","0.02","717.9","0.3","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O3 S -","- C14 H18 N O3 S -","- C28 H36 N2 O6 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1371","","","","0.3264","","","","","","3.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506172","8.536","0.0002","9.6894","0.0003","10.5913","0.0003","79.31","0.002","68.379","0.002","79.786","0.002","794.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N2 O5 S2 -","- C13 H20 N2 O5 S2 -","- C26 H40 N4 O10 S4 -","2","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0502","0.0381","","","0.0952","0.1041","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506173","11.7943","0.0006","7.8523","0.0002","20.6581","0.001","90","","95.796","0.002","90","","1903.42","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 S2 -","- C16 H24 N2 O5 S2 -","- C64 H96 N8 O20 S8 -","4","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0852","0.0464","","","0.1093","0.1282","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506174","15.5689","0.0003","11.3899","0.0002","17.4891","0.0004","90","","96.7179","0.0011","90","","3080.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O5 S2 -","- C13 H18 N2 O5 S2 -","- C104 H144 N16 O40 S16 -","8","2","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0629","0.0461","","","0.132","0.1474","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506175","9.8222","0.001","15.7753","0.0016","17.0784","0.0017","90","","100.61","0.002","90","","2601","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O3 Si -","- C25 H42 O3 Si -","- C100 H168 O12 Si4 -","4","1","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.0468","0.0354","","","0.0878","0.0973","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506176","11.4318","0.0011","11.9829","0.0011","16.2499","0.0016","70.808","0.002","87.714","0.002","80.765","0.002","2074.8","0.3","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","2","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.1697","0.1305","","","0.3737","0.3986","","","","","","2.664","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506177","6.068","0.0006","10.6903","0.001","14.2193","0.0014","90","","92.64","0.002","90","","921.41","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.0578","0.0472","","","0.1265","0.1318","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506178","10.7652","0.0015","5.778","0.0009","25.226","0.004","90","","96.903","0.004","90","","1557.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 O8 -","- C16 H14 N2 O8 -","- C64 H56 N8 O32 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.1077","0.0956","","","0.2628","0.2731","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506179","9.458","0.002","11.332","0.002","13.604","0.002","76.51","0.01","86.68","0.02","82.32","0.02","1404.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 I N P Pd -","- C31 H31 I N P Pd -","- C62 H62 I2 N2 P2 Pd2 -","2","1","","Beccalli, Egle M.; Broggini, Gianluigi; Martinelli, Michela; Masciocchi, Norberto; Sottocornola, Silvia","New 4-spiroannulated tetrahydroisoquinolines by a one-pot sequential procedure. isolation and characterization of sigma-alkylpalladium heck intermediates.","Organic letters","2006","8","20","4521","4524","10.1021/ol061693c","","","0.71073","MoKα","","0.0245","0.021","","","0.0497","0.0514","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506180","7.2601","0.0008","17.0441","0.0019","11.6153","0.0013","90","","105.116","0.002","90","","1387.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","06167a","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Sessions, E. Hampton; Jacobi, Peter A.","Studies on the synthesis of furanosteroids. I. Viridin models.","Organic letters","2006","8","18","4125","4128","10.1021/ol061697h","","","0.71073","MoKα","","0.0689","0.053","","","0.1051","0.1103","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506181","53.619","0.008","12.3613","0.0018","18.615","0.003","90","","108.317","0.002","90","","11713","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93.95 H22.6 N2 O4 S2.7 -","- C93.95 H22.6 N2 O4 S2.7 -","- C751.6 H180.8 N16 O32 S21.6 -","8","1","","Chuang, Shih-Ching; Clemente, Fernando R.; Khan, Saeed I.; Houk, K. N.; Rubin, Yves","Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.","Organic letters","2006","8","20","4525","4528","10.1021/ol061707e","","","0.71073","MoKα","","0.178","0.123","","","0.3062","0.335","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506182","6.1879","0.0006","6.6386","0.0006","30.879","0.003","90","","90","","90","","1268.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N5 O5 -","- C11 H15 N5 O5 -","- C44 H60 N20 O20 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.032","0.0312","","","0.0806","0.0812","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506183","10.9634","0.0005","6.2492","0.0003","24.277","0.0017","90","","97.714","0.003","90","","1648.23","0.16","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O8 -","- C35 H33 N5 O8 -","- C70 H66 N10 O16 -","2","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0418","0.0357","","","0.0949","0.0996","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506184","6.9156","0.0004","9.5678","0.0006","14.8356","0.0009","90","","97.897","0.002","90","","972.32","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C32 H36 N20 O8 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0371","0.0365","","","0.1011","0.1019","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506185","6.986","0.007","11.755","0.011","25.4","0.02","90","","90","","90","","2086","3","142","2","142","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.125","0.0981","","","0.2659","0.2782","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506186","12.794","0.003","12.794","0.003","24.424","0.007","90","","90","","120","","3462.3","1.5","123","2","123","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C156 H174 N6 O30 -","6","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.059","0.0562","","","0.1574","0.1626","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506187","26.12","0.005","9.092","0.0018","11.853","0.002","90","","90","","90","","2814.9","0.9","183","2","183","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H40 O6 -","- C32 H40 O6 -","- C128 H160 O24 -","4","0.5","","Bérubé, Amélie; Drutu, Ioana; Wood, John L.","Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.","Organic letters","2006","8","24","5421","5424","10.1021/ol061737h","","","0.71073","MoKα","","0.1169","0.0764","","","0.2128","0.2252","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506188","33.2904","0.0006","4.6499","0.0001","21.8825","0.0003","90","","129.954","0.001","90","","2596.6","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4 O4 -","- C34 H24 N4 O4 -","- C136 H96 N16 O16 -","4","0.5","","Maes, Wouter; Van Rossom, Wim; Van Hecke, Kristof; Van Meervelt, Luc; Dehaen, Wim","Selective synthesis of functionalized thia- and oxacalix[2]arene[2]pyrimidines.","Organic letters","2006","8","18","4161","4164","10.1021/ol0617446","","","1.54178","CuKα","","0.0443","0.041","","","0.1072","0.1107","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506189","14.298","0.003","9.036","0.002","24.098","0.006","90","","103.915","0.004","90","","3022","1.2","120.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H51 Cl9 N4 -","- C69 H51 Cl9 N4 -","- C138 H102 Cl18 N8 -","2","0.5","","Higuchi, Masayoshi; Shomura, Ryo; Ohtsuka, Yuhki; Hayashi, Akari; Yamamoto, Kimihisa; Kurth, Dirk G.","Sequential metal ion assembly in cyclic phenylazomethine.","Organic letters","2006","8","21","4723","4726","10.1021/ol061758b","","","0.71069","MoKα","","","0.0609","","","","0.1891","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506190","10.4953","0.0002","12.5604","0.0002","18.7166","0.0003","93.594","0.001","102.2","0.001","106.121","0.001","2297.33","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 Cl8 -","- C94 H70 Cl8 -","- C94 H70 Cl8 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1719","0.139","","","0.3195","0.3486","","","","","","2.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506191","28.4006","0.0005","10.1973","0.0003","16.7659","0.0004","90","","113.988","0.0011","90","","4436.19","0.19","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H43 Cl2 -","- C57 H43 Cl2 -","- C228 H172 Cl8 -","4","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1374","0.096","","","0.2326","0.2401","","","","","","1.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506192","10.5923","0.0003","10.641","0.0003","10.6696","0.0003","102.995","0.001","109.818","0.001","106.515","0.001","1013.57","0.05","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H46 -","- C55 H46 -","- C55 H46 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.0783","0.0513","","","0.1354","0.1468","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506193","9.9995","0.0002","21.0286","0.0003","28.2579","0.0005","90","","97.321","0.0009","90","","5893.5","0.18","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C71 H56 Cl6 -","- C71 H56 Cl6 -","- C284 H224 Cl24 -","4","1","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1963","0.0821","","","0.1925","0.2636","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506194","15.8018","0.0008","10.593","0.0006","13.4179","0.0004","90","","99.317","0.003","90","","2216.37","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B10 Si2 -","- C14 H28 B10 Si2 -","- C56 H112 B40 Si8 -","4","1","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0787","0.046","","","0.1055","0.1167","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506195","7.7775","0.0002","14.1714","0.0003","15.9281","0.0005","96.034","0.002","103.042","0.002","100.443","0.002","1662.3","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H22 B10 Si -","- C9 H22 B10 Si -","- C36 H88 B40 Si4 -","4","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0559","0.0426","","","0.107","0.1142","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506196","16.7308","0.0012","13.0118","0.0005","19.7733","0.0013","90","","113.094","0.002","90","","3959.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 Si -","- C14 H24 B10 Si -","- C112 H192 B80 Si8 -","8","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0949","0.0535","","","0.123","0.1398","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506197","15.884","0.0005","10.915","0.0003","23.3469","0.0007","90","","109.874","0.0015","90","","3806.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 O S -","- C50 H44 O S -","- C200 H176 O4 S4 -","4","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1725","0.0791","","","0.1891","0.2344","","","","","","1.186","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506198","10.5328","0.0001","14.2613","0.0002","17.205","0.0003","67.351","0.0007","72.196","0.0008","70.479","0.0008","2200.91","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H45 N -","- C60 H45 N -","- C120 H90 N2 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.111","0.0596","","","0.1452","0.178","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506199","9.0731","0.0006","14.1751","0.0007","14.4817","0.0009","73.659","0.003","81.407","0.003","77.206","0.004","1735.34","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H34 S2 -","- C44 H34 S2 -","- C88 H68 S4 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1551","0.0637","","","0.1365","0.1821","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506200","9.8963","0.0003","10.7278","0.0005","10.7354","0.0004","110.407","0.002","104.026","0.002","107.311","0.002","940.43","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H38 S2 -","- C52 H38 S2 -","- C52 H38 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1106","0.0612","","","0.149","0.1822","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506201","10.3765","0.0002","10.4444","0.0002","10.7639","0.0002","107.404","0.001","109.796","0.001","99.034","0.001","1003.08","0.04","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.0706","0.0555","","","0.153","0.1789","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506202","5.03","0.0004","12.3658","0.0009","14.072","0.001","102.516","0.001","95.968","0.001","95.375","0.001","843.74","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 H11.5 N0.5 O S0.5 -","- C19 H23 N O2 S -","- C38 H46 N2 O4 S2 -","2","1","","Kim, Soo Min; Lee, Sang Ick; Chung, Young Keun","GaCl3-catalyzed formation of eight-membered rings from enynes bearing a cyclic olefin.","Organic letters","2006","8","24","5425","5427","10.1021/ol061801v","","","0.71073","MoKα","","0.0576","0.0446","","","0.1148","0.131","","","","","","1.146","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506203","5.5389","0.0005","8.4692","0.0008","27.111","0.003","90","","90","","90","","1271.8","0.2","138","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Wender, Paul A.; Horan, Joshua C.","Synthesis and PKC binding of a new class of a-ring diversifiable bryostatin analogues utilizing a double asymmetric hydrogenation and cross-coupling strategy.","Organic letters","2006","8","20","4581","4584","10.1021/ol0618149","","","0.71073","MoKα","","0.0299","0.0271","","","0.0618","0.0625","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506204","13.328","0.007","22.154","0.008","15.638","0.006","90","0.005","108.17","0.006","90","0.005","4387","3","173.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl7 N O2 Si -","- C38 H54 Cl7 N O2 Si -","- C152 H216 Cl28 N4 O8 Si4 -","4","1","","Kondo, Shin-Ichi; Harada, Tomomi; Tanaka, Ryoji; Unno, Masafumi","Anion recognition by a silanediol-based receptor.","Organic letters","2006","8","20","4621","4624","10.1021/ol061822p","","","0.7107","MoKα","","","0.0793","","","","0.2238","","","","","","1.774","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506205","6.0107","0.0003","15.0074","0.0007","25.3448","0.0011","90","","90","","90","","2286.23","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br O5 -","- C28 H23 Br O5 -","- C112 H92 Br4 O20 -","4","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0456","0.0333","","","0.0685","0.0727","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506206","13.1894","0.0018","5.199","0.001","17.152","0.003","90","","110.015","0.007","90","","1105.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 Br O5 -","- C26 H23 Br O5 -","- C52 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0514","0.0388","","","0.0816","0.0857","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506207","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506208","7.4562","0.0012","16.273","0.003","11.316","0.002","90","","95.83","0.1","90","","1365.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","amino-pyrrolo[2,3-b]quinoxaline","1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","","Gryko, Daniel T.; Piechowska, Joanna; Tasior, Mariusz; Waluk, Jacek; Orzanowska, Grazyna","From bifunctional nucleophilic behavior of DBU to a new heterocyclic fluorescent platform.","Organic letters","2006","8","21","4747","4750","10.1021/ol061827m","","","0.71073","MoKα","","0.1374","0.0691","","","0.169","0.1954","","","","","","0.96","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506209","10.447","0.002","11.215","0.002","37.269","0.008","90","","90","","90","","4366.6","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C200 H248 N8 O24 -","8","2","","Lebeuf, Raphaël; Robert, Frédéric; Schenk, Kurt; Landais, Yannick","Desymmetrization of cyclohexa-2,5-dienes through a diastereoselective protonation-hydroamination cascade.","Organic letters","2006","8","21","4755","4758","10.1021/ol0618353","","","0.71073","MoKα","","0.0635","0.0463","","","0.061","0.0618","","","","","","2.765","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506210","6.8719","0.0002","8.3968","0.0002","12.8819","0.0004","90","","98.659","0.002","90","","734.84","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl O3 S -","- C14 H17 Cl O3 S -","- C28 H34 Cl2 O6 S2 -","2","1","","Zhao, Hongda; Gorman, Jeffrey S. T.; Pagenkopf, Brian L.","Advances in Lewis acid controlled carbon-carbon bond-forming reactions enable a concise and convergent total synthesis of bullatacin.","Organic letters","2006","8","19","4379","4382","10.1021/ol061847o","","","0.71073","MoKα","","0.0487","0.0346","","","0.0626","0.0676","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506211","34.902","0.009","9.072","0.002","33.401","0.009","90","","109.749","0.001","90","","9954","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","Tetracoordinate thiazetidine","","- C25 H15 F12 N O S -","- C25 H15 F12 N O S -","- C400 H240 F192 N16 O16 S16 -","16","2","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0748","0.049","","","0.1239","0.1469","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506212","10.371","0.004","16.811","0.007","14.108","0.006","90","","90","","90","","2459.7","1.7","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 9","Pentacoordinate 1,2-thiazetidine","","- C25 H15 F12 N O2 S -","- C25 H15 F12 N O2 S -","- C100 H60 F48 N4 O8 S4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0249","0.0243","","","0.0569","0.0572","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506213","17.5139","0.0009","5.3838","0.0004","23.798","0.002","90","","121.842","0.002","90","","1906.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.1157","0.0831","","","0.1627","0.1775","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506214","12.417","0.001","5.357","0.0003","18.569","0.002","90","0.01","96.63","0.005","90","0.01","1226.91","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.0881","0.0752","","","0.1874","0.197","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506215","23.094","0.005","21.226","0.004","27.759","0.006","90","","93.35","0.03","90","","13584","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 N2 S4 -","- C68 H56 F6 N2 O4 S4 -","- C544 H448 F48 N16 O32 S32 -","8","2","","Kumar, Rajeev; Misra, Rajneesh; Chandrashekar, Tavarekere K.","Effect of meso aryl substituents on the synthesis of core-modified expanded porphyrins.","Organic letters","2006","8","21","4847","4850","10.1021/ol0619011","","","0.71073","MoKα","","0.1724","0.1109","","","0.2432","0.2721","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506216","20.19","0.005","21.348","0.005","24.339","0.009","98.401","0.005","100.779","0.005","115.219","0.004","9017","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H105 Fe6 O3 -","- C117 H105 Fe6 O3 -","- C468 H420 Fe24 O12 -","4","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","0.71073","MoKα","","0.0935","0.0653","","","0.1693","0.1838","","","","","","1.106","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506217","7.8618","0.0003","23.0451","0.0007","15.497","0.0005","90","","103.565","0.002","90","","2729.36","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Fe I -","- C16 H13 Fe I -","- C128 H104 Fe8 I8 -","8","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0379","0.0377","","","0.0962","0.0964","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506218","12.6557","0.0006","7.8068","0.0004","12.6535","0.0006","90","","104.579","0.002","90","","1209.92","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Fe2 -","- C34 H26 Fe2 -","- C68 H52 Fe4 -","2","0.5","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0438","0.0345","","","0.0745","0.0779","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506219","12.3611","0.0007","13.3819","0.0007","12.5042","0.0007","90","","108.934","0.001","90","","1956.47","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br2 N O -","- C22 H19 Br2 N O -","- C88 H76 Br8 N4 O4 -","4","1","","Lazareva, Anna; Daugulis, Olafs","Direct palladium-catalyzed ortho-arylation of benzylamines.","Organic letters","2006","8","23","5211","5213","10.1021/ol061919b","","","0.71073","MoKα","","0.0254","0.0207","","","0.0552","0.0572","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506220","7.3419","0.0007","24.75","0.002","7.8224","0.0007","90","","107","0.002","90","","1359.3","0.2","100","2","293","2","","","","","","","synthetic","3","P 1 21/a 1","-P 2yab","14","","pyran-2-one annulated tetrahelicene RI-2","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.0815","0.057","","","0.1235","0.1634","","","","","","1.151","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506221","12.559","0.005","5.626","0.005","19.945","0.005","90","","104.03","","90","","1367.2","1.4","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","2-pyranone-annulated tetrahelicenes RI-1","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.1751","0.1327","","","0.3673","0.3935","","","","","","1.127","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506222","11.202","0.005","7.167","0.005","18.199","0.005","90","0.005","94.155","0.005","90","0.005","1457.3","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one fused tetrahelicenes RI-1","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.087","0.0632","","","0.1568","0.1964","","","","","","1.227","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506223","7.885","0.005","26.061","0.005","7.474","0.005","90","0.005","111.659","0.005","90","0.005","1427.4","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one annulated tetrahelicenes RI-2","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.1068","0.0753","","","0.1771","0.2238","","","","","","1.229","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506224","17.351","0.004","23.605","0.005","14.941","0.003","90","","90","","90","","6119","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Cl Cu F12 N8 P2 -","- C24.5 H25 Cl Cu F12 N8 P2 -","- C196 H200 Cl8 Cu8 F96 N64 P16 -","8","1","","Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang","Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.","Organic letters","2006","8","21","4895","4898","10.1021/ol061928k","","","0.71073","MoKα","","0.0979","0.0439","","","0.0853","0.0912","","","","","","0.694","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506225","8.4301","0.0007","25.655","0.002","10.6102","0.0009","90","","105.677","0.001","90","","2209.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06196","","","- C21 H28 N4 O9 -","- C21 H28 N4 O9 -","- C84 H112 N16 O36 -","4","1","","Gerasyuto, Aleksey I.; Hsung, Richard P.","Stereodivergent total syntheses of precoccinelline, hippodamine, coccinelline, and convergine.","Organic letters","2006","8","21","4899","4902","10.1021/ol0619359","","","0.71073","MoKα","","0.0473","0.0391","","","0.0898","0.0937","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506226","6.0231","0.0012","18.81","0.004","19.088","0.004","90","","91.44","0.03","90","","2161.9","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","2","","Kwiatkowski, Piotr; Majer, Jakub; Chaładaj, Wojciech; Jurczak, Janusz","Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate.","Organic letters","2006","8","22","5045","5048","10.1021/ol061943p","","","0.71073","MoKα","","0.0968","0.0811","","","0.2129","0.2279","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506227","9.736","0.005","15.884","0.005","11.886","0.005","90","0.005","97.432","0.005","90","0.005","1822.7","1.3","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 N2 O2 S -","- C20 N2 O2 S -","- C80 N8 O8 S4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.186","0.0935","","","0.1672","0.2252","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506228","9.634","0.005","9.858","0.005","11.925","0.005","97.676","0.005","97.61","0.005","116.21","0.005","983.4","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C42 H48 N4 O4 S2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1233","0.0785","","","0.205","0.2414","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506229","5.982","0.001","11.036","0.003","20.476","0.013","90","","90","","90","","1351.8","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.0922","0.0553","","","0.1408","0.17","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506230","11.499","0.005","11.633","0.005","21.44","0.005","82.286","0.005","81.579","0.005","76.573","0.005","2744.5","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C104 H120 Cl24 O8 -","8","4","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2011","0.0686","","","0.1636","0.2432","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506231","6.951","0.003","7.903","0.004","14.659","0.004","90","","101.766","0.015","90","","788.4","0.6","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1171","0.0839","","","0.2011","0.2493","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506232","7.544","0.003","15.504","0.004","11.984","0.004","90","","105.776","0.011","90","","1348.9","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2052","0.0968","","","0.2596","0.2014","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506233","6.193","0.005","17.433","0.005","14.493","0.005","90","0.005","99.693","0.005","90","0.005","1542.4","1.4","291","2","291","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1797","0.0961","","","0.2076","0.1727","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506234","11.2356","0.0003","5.4389","0.0002","19.1892","0.0005","90","","90","","90","","1172.64","0.06","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy.","Organic letters","2006","8","20","4649","4652","10.1021/ol061957v","","","1.54178","CuKα","","0.0339","0.0312","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506235","10.1","0.0001","17.0482","0.0002","20.4921","0.0002","102.669","0.001","96.006","0.001","106.526","0.001","3247.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)(phenyl)methyl)valamide","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C150 H186 N6 O12 -","6","3","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0714","0.044","","","0.1277","0.1486","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506236","12.7515","0.0003","15.6796","0.0003","19.48","0.0004","90","","104.275","0.001","90","","3774.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)ethyl)pivalamide","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C160 H232 N8 O16 -","8","2","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0832","0.0462","","","0.1136","0.132","","","","","","1.03","","","","has coordinates,has disorder","193981","2020-10-21","18:00:00",""
"1506237","17.935","0.004","6.408","0.001","12.934","0.003","90","","99.607","0.003","90","","1465.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03097","","","- C12 H19 N O4 Si -","- C12 H19 N O4 Si -","- C48 H76 N4 O16 Si4 -","4","1","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.117","0.0937","","","0.2","0.2115","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506238","7.7751","0.0017","15.225","0.003","32.622","0.007","90","","90","","90","","3861.7","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06036b","","","- C15 H27 N O6 Si -","- C15 H27 N O6 Si -","- C120 H216 N8 O48 Si8 -","8","2","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.0905","0.0532","","","0.1128","0.1308","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506239","7.928","0.0013","7.9969","0.0013","12.261","0.002","83.526","0.003","78.836","0.003","62.414","0.003","675.69","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C28 H26 Br2 O8 -","2","1","","Xu, Lubin; Huang, Xian; Zhong, Fangrui","Intermolecular tandem addition-cyclization of bromoallenes: a facile synthesis of methylenecyclopropyl carboxylates and polysubstituted furans.","Organic letters","2006","8","22","5061","5064","10.1021/ol061993u","","","0.71073","MoKα","","0.0707","0.0569","","","0.1335","0.1379","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506240","36.957","0.003","9.8273","0.0009","16.7524","0.0017","90","","104.949","0.004","90","","5878.3","0.9","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C320 H256 N16 -","8","1","","Kim, Hyunwoo; Yen, Cindy; Preston, Philippa; Chin, Jik","Substrate-directed stereoselectivity in vicinal diamine-catalyzed synthesis of warfarin.","Organic letters","2006","8","23","5239","5242","10.1021/ol062000v","","","1.54178","CuKα","","0.1834","0.0836","","","0.1979","0.2497","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506241","12.29","0.03","9.62","0.02","12.49","0.03","90","","100.76","0.03","90","","1451","6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 N2 O8 S -","- C25 H28 Cl2 N2 O8 S -","- C50 H56 Cl4 N4 O16 S2 -","2","1","","Li, Pixu; Forbeck, Erin M.; Evans, Cory D.; Joullié, Madeleine M","Trisubstituted aziridine ring-opening by phenol derivatives: stereo- and regioselective formation of chiral tertiary alkyl-aryl ethers.","Organic letters","2006","8","22","5105","5107","10.1021/ol062010w","","","0.71069","MoKα","","0.0921","0.0597","","","0.1435","0.2006","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506242","27.991","0.007","27.991","0.007","20.057","0.007","90","","90","","120","","13609","7","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H56 Cl2 N4 O12 -","- C42 H56 Cl2 N4 O12 -","- C378 H504 Cl18 N36 O108 -","9","1","","Hong, Wen-Xu; Chen, Ling-Jun; Zhong, Chun-Long; Yao, Zhu-Jun","Bidirectional synthesis of the central amino acid of chloptosin.","Organic letters","2006","8","21","4919","4922","10.1021/ol0620139","","","0.71073","MoKα","","0.2038","0.0963","","","0.2328","0.2847","","","","","","0.859","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506243","20.5365","0.0005","5.2508","0.0001","26.4263","0.0006","90","","90","","90","","2849.63","0.11","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0508","0.0382","","0.0535","0.0468","0.0468","","","","","","1.1106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506244","7.7435","0.0003","10.657","0.0003","18.3316","0.0004","95.443","0.0018","97.0565","0.0018","103.869","0.0014","1445.36","0.08","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0621","0.0439","","0.0627","0.0548","0.0548","","","","","","1.0935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506245","7.9681","0.0002","10.7207","0.0003","18.021","0.0003","96.5216","0.0015","98.1632","0.0017","104.245","0.0013","1459.16","0.06","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0702","0.0419","","0.0747","0.0537","0.0537","","","","","","1.0874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506246","13.7213","0.0009","7.7011","0.0006","19.5546","0.0013","90","","110.252","0.004","90","","1938.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 -","- C22 H15 N3 O5 -","- C88 H60 N12 O20 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71073","MoKα","","0.0797","0.0511","","","0.13","0.1509","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506247","9.712","0.005","27.09","0.005","7.598","0.005","90","","103.46","0.005","90","","1944.1","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71069","MoKα","","0.1316","0.119","","","0.3701","0.3792","","","","","","1.168","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506248","4.4469","0.0004","11.4613","0.001","26.073","0.002","90","","93.528","0.002","90","","1326.35","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0861","0.053","","","0.1385","0.164","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506249","13.961","0.002","4.8222","0.0007","17.468","0.003","90","","108.14","0.002","90","","1117.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0983","0.0544","","","0.126","0.1522","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506250","7.164","0.0009","20.24","0.003","9.0634","0.0013","90","","110.805","0.002","90","","1228.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.1068","0.0496","","","0.1168","0.1397","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506251","10.2921","0.0017","11.3599","0.0019","17.186","0.003","74.811","0.002","77.22","0.002","76.606","0.002","1858.6","0.5","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C39 H46 Cl4 N4 Pd -","- C39 H46 Cl4 N4 Pd -","- C78 H92 Cl8 N8 Pd2 -","2","1","","Xu, Linlin; Ferrence, Gregory M.; Lash, Timothy D.","[22]Porphyrin-(3.1.1.3), a new vinylogous expanded porphyrin system.","Organic letters","2006","8","22","5113","5116","10.1021/ol062043b","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1579","0.1708","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506252","13.9922","0.0013","15.3095","0.0014","8.5436","0.0008","90","","98.035","0.002","90","","1812.2","0.3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","1","","Lauchli, Ryan; Shea, Kenneth J.","A synthesis of the welwistatin core.","Organic letters","2006","8","23","5287","5289","10.1021/ol0620747","","","0.71073","MoKα","","0.0463","0.0342","","","0.0854","0.0945","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506253","6.0057","0.0006","12.2328","0.0012","25.351","0.003","90","","90.591","0.005","90","","1862.4","0.3","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Wang, Yi; Burton, Donald J.","Site-specific preparation of 2-carboalkoxy-4-substituted naphthalenes and 9-alkylphenanthrenes and evidence for an allene intermediate in the novel base-catalyzed cyclization of 2-alkynylbiphenyls.","Organic letters","2006","8","23","5295","5298","10.1021/ol0620850","","","0.71069","MoKα","","0.0688","0.043","","","0.0936","0.1043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506254","9.4787","0.0001","9.6895","0.0001","27.4742","0.0003","90","","90","","90","","2523.34","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1058","","","- C27 H22 Cl Cu N5 O4 -","- C27 H22 Cl Cu N5 O4 -","- C108 H88 Cl4 Cu4 N20 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0288","0.0248","","0.062","","0.0607","","","1.046","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506255","10.0378","0.0001","17.8225","0.0001","19.2315","0.0002","90","","90","","90","","3440.49","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1057","","","- C28 H23 Cl4 N5 Ni O4 -","- C28 H23 Cl4 N5 Ni O4 -","- C112 H92 Cl16 N20 Ni4 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0457","0.0391","","0.0993","","0.0961","","","1.042","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506256","14.489","0.001","9.618","0.001","23.916","0.002","90","","91.48","0.004","90","","3331.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1208","","","- C36 H29 D3 N6 O4 S Zn -","- C36 H29 D3 N6 O4 S Zn -","- C144 H116 D12 N24 O16 S4 Zn4 -","4","2","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0468","0.0376","","","0.0867","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506257","9.3015","0.0001","15.645","0.0002","23.0613","0.0003","90","","95.222","0.004","90","","3342","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1123","","","- C75 H58 D8 N10 O8 S2 Zn2 -","- C75 H58 D8 N10 O8 S2 Zn2 -","- C150 H116 D16 N20 O16 S4 Zn4 -","2","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0581","0.044","","0.1021","","0.0961","","","1.056","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506258","23.446","0.016","23.446","0.016","14.036","0.014","90","","90","","120","","6682","9","293","2","293","2","","","","","","","","3","P 65","P 65","170","xylogranatin A","","","- C38 H50 O14 -","- C38 H50 O14 -","- C228 H300 O84 -","6","1","","Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.","Organic letters","2006","8","21","4935","4938","10.1021/ol062101t","","","0.71073","MoKα","","0.119","0.0806","","","0.2035","0.2233","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506259","10.9275","0.0014","11.0354","0.0011","14.5086","0.0015","92.193","0.001","100.377","0.002","96.85","0.001","1705.5","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N2 O11 -","- C34 H41 N2 O11 -","- C68 H82 N4 O22 -","2","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0631","0.0591","","","0.1498","0.1525","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506260","19.514","0.002","16.3891","0.0019","27.727","0.003","90","","101.243","0.002","90","","8697.4","1.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H118 N4 O24 -","- C88 H118 N4 O24 -","- C352 H472 N16 O96 -","4","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0832","0.0761","","","0.2031","0.2085","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506261","11.177","0.002","14.03","0.002","14.477","0.002","90","","90","","90","","2270.2","0.6","287","2","287","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0909","0.0426","","","0.0915","0.0988","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506262","8.192","0.002","7.778","0.002","17.823","0.004","90","","99.82","0.02","90","","1119","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0749","0.0466","","","0.1232","0.1318","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506263","27.369","0.002","6.226","0.0005","25.329","0.0018","90","","90.231","0.001","90","","4316","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C184 H256 N16 O40 -","8","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0465","0.0372","","","0.0958","0.0991","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506264","6.4308","0.0003","14.8616","0.0007","29.0316","0.0014","90","","90","","90","","2774.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl3 F3 N2 O6 S -","- C23 H26 Cl3 F3 N2 O6 S -","- C92 H104 Cl12 F12 N8 O24 S4 -","4","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0299","0.0284","","","0.0733","0.0744","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506265","12.0169","0.0002","15.9703","0.0003","16.131","0.0003","63.823","0.001","70.256","0.001","78.903","0.001","2611.45","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H69 Cl3 O12 -","- C53 H69 Cl3 O12 -","- C106 H138 Cl6 O24 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","0.71703","","","0.1476","0.0971","","","0.2065","0.2365","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506266","14.0187","0.0004","14.4583","0.0004","16.5822","0.0005","65.075","0.002","75.326","0.002","77.921","0.002","2928.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H85 N3 O14 -","- C62 H85 N3 O14 -","- C124 H170 N6 O28 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54184","CuKα","","0.0705","0.0587","","","0.1551","0.1659","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506267","17.3738","0.0006","15.9352","0.0005","24.4132","0.0008","90","","91.8","0.002","90","","6755.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 F12 K2 N2 O15 P2 -","- C60 H84 F12 K2 N2 O15 P2 -","- C240 H336 F48 K8 N8 O60 P8 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0962","0.0764","","","0.2042","0.2226","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506268","33.394","0.001","15.559","0.001","24.951","0.001","90","","101.11","0.01","90","","12721","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 F6 Na O16 P -","- C62 H88 F6 Na O16 P -","- C496 H704 F48 Na8 O128 P8 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0969","0.0669","","","0.1592","0.1808","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506269","33.607","0.001","15.5535","0.0005","24.7751","0.0008","90","","101.153","0.001","90","","12705.5","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl Na O20 -","- C62 H88 Cl Na O20 -","- C496 H704 Cl8 Na8 O160 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.1225","0.0828","","","0.2166","0.252","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506270","14.792","0.003","10.495","0.002","16.383","0.003","90","","95.915","0.005","90","","2529.8","0.8","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 -","- C36 H26 -","- C144 H104 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.2298","0.0715","","","0.1321","0.1827","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506271","13.4196","0.0016","11.1258","0.0013","18.781","0.002","90","","93.243","0.002","90","","2799.6","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.1341","0.0541","","","0.1276","0.1499","","","","","","0.83","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506272","10.675","0.002","11.455","0.003","12.152","0.003","94.968","0.004","95.671","0.004","117.303","0.004","1299.3","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 O3 P -","- C30 H37 O3 P -","- C60 H74 O6 P2 -","2","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","x-ray","0.71073","MoKα","","0.0937","0.0645","","","0.1579","0.1661","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506273","10.999","0.006","11.201","0.006","21.538","0.012","90","","100.571","0.009","90","","2608","2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","","0.71073","MoKα","","0.0974","0.0777","","","0.2286","0.2424","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506274","7.2566","0.0002","8.17537","0.00018","16.3566","0.0007","92.313","0.001","100.627","0.001","103.381","0.001","924.32","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","","Paravidino, Monica; Bon, Robin S.; Scheffelaar, Rachel; Vugts, Danielle J.; Znabet, Anass; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Groen, Marinus B.; Orru, Romano V. A.","Diastereoselective multicomponent synthesis of dihydropyridones with an isocyanide functionality.","Organic letters","2006","8","23","5369","5372","10.1021/ol062204b","","","0.71073","MoKα","","0.0579","0.0437","","","0.1015","0.11","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506275","6.5663","0.0005","7.983","0.0006","20.8615","0.0017","90","","98.819","0.001","90","","1080.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N S -","- C11 H10 F2 N2 S -","- C44 H40 F8 N8 S4 -","4","1","","Xu, Wei; Abboud, Khalil A.; Ghiviriga, Ion; Dolbier, Jr, William R; Rapp, Magdalena; Wnuk, Stanislaw F.","An unexpected reaction of trimethylsilyl fluorosulfonyldifluoroacetate (TFDA) with imidazoles. Formation of N-difluoromethylthioureas.","Organic letters","2006","8","24","5549","5551","10.1021/ol062213k","","","0.71073","MoKα","","0.0412","0.0365","","","0.1055","0.1089","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506276","12.3111","0.0002","10.7924","0.0002","14.003","0.0002","90","","114.56","0.0011","90","","1692.2","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C64 H80 Cl16 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0395","0.0249","","0.0354","0.03","0.03","","","","","","1.0835","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506277","6.6694","0.0002","10.1604","0.0003","12.2442","0.0003","100.632","0.0019","94.9445","0.0017","94.3746","0.0018","808.83","0.04","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C32 H40 Cl8 O2 -","2","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.035","0.0272","","0.0383","0.0332","0.0332","","","","","","1.0552","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506278","6.6142","0.0001","12.218","0.0003","19.1863","0.0004","90","","92.6086","0.0015","90","","1548.88","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl3 O -","- C16 H19 Cl3 O -","- C64 H76 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0392","0.024","","0.0349","0.0282","0.0282","","","","","","1.1022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506279","15.7868","0.0003","6.466","0.0001","16.3562","0.0003","90","","99.0435","0.0011","90","","1648.84","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl3 O -","- C17 H21 Cl3 O -","- C68 H84 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0394","0.027","","0.0382","0.0316","0.0316","","","","","","1.0654","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506280","6.6052","0.0002","16.5809","0.0005","19.2553","0.0006","111.316","0.0013","93.605","0.002","99.927","0.002","1916.96","0.1","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C18 H21 Cl5 O -","- C18 H21 Cl5 O -","- C72 H84 Cl20 O4 -","4","2","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0878","0.0517","","0.0504","0.0452","0.0452","","","","","","1.0263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506281","15.461","0.001","5.7223","0.0003","17.076","0.001","90","","96.684","0.002","90","","1500.49","0.15","193.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H6 F6 S3 -","- C15.83 H6 F6 S2.69 -","- C63.32 H24 F24 S10.76 -","4","1","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.047","","","","0.117","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506282","34.977","0.002","5.7994","0.0003","15.474","0.001","90","","110.238","0.002","90","","2945.1","0.3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H10 F12 S6 -","- C31.22 H10 F12 S5.62 -","- C124.88 H40 F48 S22.48 -","4","0.5","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.0832","","","","0.2449","","","","","","2.898","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506283","8.463","0.0017","9.365","0.0019","26.305","0.005","90","","90","","90","","2084.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N3 O3 -","- C23 H22 N4 O5 -","- C92 H88 N16 O20 -","4","1","","Jiao, Rui H.; Xu, Shu; Liu, Jun Y.; Ge, Hui M.; Ding, Hui; Xu, Chen; Zhu, Hai L.; Tan, Ren X.","Chaetominine, a cytotoxic alkaloid produced by endophytic Chaetomium sp. IFB-E015.","Organic letters","2006","8","25","5709","5712","10.1021/ol062257t","","","0.71073","MoKα","","0.1707","0.1026","","","0.2805","0.3484","","","","","","1.154","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506284","12.087","0.003","7.895","0.002","19.07","0.005","90","","106.047","0.004","90","","1748.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Du, Yunfei; Liu, Renhe; Linn, Gregory; Zhao, Kang","Synthesis of N-substituted indole derivatives via PIFA-mediated intramolecular cyclization.","Organic letters","2006","8","26","5919","5922","10.1021/ol062288o","","","0.71073","MoKα","","0.0971","0.0467","","","0.1088","0.1329","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506285","7.942","0.005","10.334","0.006","19.787","0.012","90","","92.16","0.05","90","","1622.8","1.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O7 -","- C37 H52 N2 O7 -","- C74 H104 N4 O14 -","2","1","","Kushiro, Tetsuo; Hoshino, Masaki; Tsutsumi, Takehiko; Kawai, Ken-ichi; Shiro, Motoo; Shibuya, Masaaki; Ebizuka, Yutaka","Stereochemical course in water addition during LUP1-catalyzed triterpene cyclization.","Organic letters","2006","8","24","5589","5592","10.1021/ol062310d","","","0.71075","MoKα","","","0.053","","","","0.112","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506286","9.397","0.0007","13.512","0.0005","13.991","0.001","90","","100.976","0.003","90","","1743.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H6.22 N2.67 O0.89 S0.89 -","- C5.33333 H8 N2.66667 O0.888889 S0.888889 -","- C48 H72 N24 O8 S8 -","9","2.25","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0661","0.0438","","","0.1215","0.1318","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506287","6.4264","0.0008","9.4444","0.0011","13.293","0.0016","90","","96.777","0.002","90","","801.16","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.039","0.0376","","","0.1007","0.1019","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506288","9.2416","0.001","8.772","0.0009","15.567","0.0016","90","","90","","90","","1262","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H10 Cl3 N3 O S -","- C7 H10 Cl3 N3 O S -","- C28 H40 Cl12 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0397","0.0389","","","0.0952","0.0958","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506289","5.646","0.001","8.78","0.002","14.507","0.002","104.262","0.018","91.69","0.02","96.25","0.02","691.6","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","8,8'-bis(9-benzyl-6-phenylpurine)","","- C36 H26 N8 -","- C36 H26 N8 -","- C36 H26 N8 -","1","0.5","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","x-ray","1.54184","CuKα","","0.0435","0.0414","","0.0475","0.0469","0.0469","","","","","","1.1154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506290","10.1257","0.0008","10.4037","0.0008","11.2572","0.0009","101.247","0.007","114.349","0.008","106.926","0.007","963.7","0.18","150","","150","","","","","","","","","3","P -1","-P 1","2","","9-Benzyl-6-phenyl-8-(4-methylphenyl)purine","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","","1.5418","CuKα","","0.0549","0.0492","","0.0591","0.0562","0.0562","","","","","","1.1423","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506291","13.641","0.003","16.424","0.003","12.005","0.002","90","","94.29","0.03","90","","2682.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N4 O5 S -","- C29 H30 N4 O5 S -","- C116 H120 N16 O20 S4 -","4","1","","Kaiser, Hanns Martin; Lo, Wei Fun; Riahi, Abdol Majid; Spannenberg, Anke; Beller, Matthias; Tse, Man Kin","New synthetic protocols for the preparation of unsymmetrical bisindoles","Organic letters","2006","8","25","5761","5764","10.1021/ol062338p","","","0.71073","MoKα","","0.0879","0.0424","","","0.0816","0.0901","","","","","","0.81","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1506292","9.6694","0.0001","13.3238","0.0002","13.8318","0.0002","90","","90","","90","","1781.99","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 O6 -","- C17 H21 F3 O6 -","- C68 H84 F12 O24 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0571","0.0443","","","0.103","0.1132","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506293","6.6648","0.0001","8.1816","0.0002","18.7439","0.0004","90","","90","","90","","1022.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C36 H40 F12 N4 O4 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0538","0.0416","","","0.1018","0.111","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506294","16.871","0.005","22.046","0.006","22.462","0.006","90","","103.148","0.006","90","","8135","4","125","2","125","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Cyclo-octafurans","","","- C88 H16 F40 O8 -","- C88 H16 F40 O8 -","- C352 H64 F160 O32 -","4","1","","Reddy, J. Sreedhar; Mandal, Sukhendu; Anand, Venkataramanarao G.","Cyclic oligofurans: one-pot synthesis of 30pi and 40pi expanded porphyrinoids.","Organic letters","2006","8","24","5541","5543","10.1021/ol062359j","","","0.71073","MoKα","","0.1468","0.0995","","","0.1754","0.1934","","","","","","1.19","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506295","5.1126","0.0006","13.096","0.002","14.347","0.002","90","","90","","90","","960.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.071","","","","0.1425","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506296","8.049","0.004","10.286","0.006","12.388","0.007","90.925","0.007","101.862","0.007","98.595","0.007","991.3","0.9","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N6 S -","- C24 H16 N6 S -","- C48 H32 N12 S2 -","2","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.0616","","","","0.1384","","","","","","1.353","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506297","9.642","0.0002","9.953","0.0002","16.2792","0.0003","97.093","0.001","92.531","0.001","97.689","0.001","1533.44","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","2","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1087","0.0499","","","0.1175","0.1496","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506298","10.4679","0.0013","15.2299","0.0018","11.7243","0.0014","90","","101.491","0.009","90","","1831.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1827","0.0739","","","0.1326","0.1597","","","","","","1.176","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506299","16.059","0.002","13.4006","0.0018","7.6695","0.0011","90","","98.68","0.001","90","","1631.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O S -","- C17 H13 Br N2 O S -","- C68 H52 Br4 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.0844","0.0508","","","0.1215","0.1394","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506300","10.9577","0.0018","9.0799","0.0015","11.3076","0.0019","90","","96.931","0.002","90","","1116.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","frojm02","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Malona, John A.; Colbourne, Jessica M.; Frontier, Alison J.","A general method for the catalytic nazarov cyclization of heteroaromatic compounds.","Organic letters","2006","8","24","5661","5664","10.1021/ol062403v","","","0.71073","MoKα","","0.0392","0.0353","","","0.097","0.0999","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506301","11.0511","0.001","20.5371","0.0016","9.0441","0.0008","90","","96.047","0.004","90","","2041.2","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Duan, Xin-Hua; Guo, Li-Na; Bi, Hai-Peng; Liu, Xue-Yuan; Liang, Yong-Min","Highly regioselective synthesis of 2,3-disubstituted indenes via a novel palladium-catalyzed cyclization reaction of propargylic carbonates with carbon nucleophiles.","Organic letters","2006","8","25","5777","5780","10.1021/ol062405f","","","0.71073","MoKα","","0.0977","0.0603","","","0.1856","0.2172","","","","","","1.183","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506302","8.193","0.0007","8.974","0.0009","18.504","0.0013","89.169","0.008","81.157","0.006","72.754","0.008","1283.2","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","2,4,5,7-tetramethoxynaphthaldehyde","2,4,5,7-tetramethoxynaphthaldehyde","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Pittelkow, Michael; Boas, Ulrik; Christensen, Jørn B","Carbocations in action. Design, synthesis, and evaluation of a highly acid-sensitive naphthalene-based backbone amide linker for solid-phase synthesis.","Organic letters","2006","8","25","5817","5820","10.1021/ol062410j","","","0.71073","MoKα","","0.0487","0.0403","","","0.1183","0.1258","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506303","7.764","0.002","21.989","0.006","8.721","0.002","90","","94.738","0.004","90","","1483.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Dahl, Bart J.; Branchaud, Bruce P.","180 degree unidirectional bond rotation in a biaryl lactone artificial molecular motor prototype.","Organic letters","2006","8","25","5841","5844","10.1021/ol062428u","","","0.71073","MoKα","","0.0575","0.0447","","","0.1039","0.1134","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506304","7.7003","0.0009","12.9161","0.0015","14.763","0.0017","87.536","0.002","84.658","0.002","74.544","0.002","1408.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 F6 N4 O8 Pd2 S2 -","- C22 H18 F6 N4 O8 Pd2 S2 -","- C44 H36 F12 N8 O16 Pd4 S4 -","2","1","","Zhao, Baowei; Lu, Xiyan","Cationic palladium(II)-catalyzed addition of arylboronic acids to nitriles. One-step synthesis of benzofurans from phenoxyacetonitriles.","Organic letters","2006","8","26","5987","5990","10.1021/ol062438v","","","0.71073","MoKα","","0.0716","0.0526","","","0.118","0.1255","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506305","16.654","0.003","17.694","0.004","17.91","0.004","77.62","0.03","64.1","0.03","89.91","0.03","4612","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.38 H37 Cl2.76 N10 O2 -","- C46.378 H37 Cl2.756 N10 O2 -","- C185.512 H148 Cl11.024 N40 O8 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.208","0.1485","","","0.4639","0.483","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506306","13.477","0.003","15.305","0.003","16.878","0.003","76.66","0.03","89.07","0.03","88.22","0.03","3385.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C134 H110 Cl8 N42 O10 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1802","0.1191","","","0.3283","0.3646","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506307","13.007","0.003","14.042","0.003","16.794","0.003","90","","90","","90","","3067.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H24 Cl2 N10 -","- C32 H24 Cl2 N10 -","- C128 H96 Cl8 N40 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.054","0.0353","","","0.0648","0.0675","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506308","26.598","0.005","9.4281","0.0019","20.033","0.004","90","","110.21","0.03","90","","4714.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H50 Cl2 N12 O4 -","- C51 H49 Cl2 N12 O4 -","- C204 H196 Cl8 N48 O16 -","4","0.5","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.0791","0.0588","","","0.1551","0.1714","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506309","16.54","0.003","8.832","0.0018","30.088","0.006","90","","104.33","0.03","90","","4258.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl2 N10 O -","- C46 H36 Cl2 N10 O -","- C184 H144 Cl8 N40 O4 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1254","0.0634","","","0.1791","0.1959","","","","","","0.97","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506310","11.1854","0.0015","34.814","0.005","7.0886","0.001","90","","106.175","0.002","90","","2651.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Hopkins, Chad D.; Malinakova, Helena C.","Allylpalladium umpolung in the three-component coupling synthesis of homoallylic amines.","Organic letters","2006","8","26","5971","5974","10.1021/ol0624528","","","0.71073","MoKα","","0.091","0.0692","","","0.1483","0.1589","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506311","24.468","0.002","24.214","0.003","19.3043","0.0019","90","","102.267","0.007","90","","11176","2","173.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C105.5 H143 N8 O8.5 -","- C105.5 H124 N8 O8.5 -","- C422 H496 N32 O34 -","4","0.5","","Ishibashi, Koichi; Tsue, Hirohito; Tokita, Satoshi; Matsui, Kazuhiro; Takahashi, Hiroki; Tamura, Rui","Regioselectively N-methylated azacalix[8]arene octamethyl ether prepared by catalytic aryl amination reaction using a temporal N-silylation protocol.","Organic letters","2006","8","26","5991","5994","10.1021/ol062459p","","","0.71075","MoKα","","","0.1226","","","","0.3856","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506312","5.762","0.003","9.213","0.004","38.396","0.018","90","","90","","90","","2038.3","1.7","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Williams, Amie L.; Srinivasan, Jayasree M.; Johnston, Jeffrey N.","Synthesis of an advanced intermediate en route to the mitomycin natural products.","Organic letters","2006","8","26","6047","6049","10.1021/ol0624676","","","0.71073","MoKα","","0.094","0.0638","","","0.1416","0.1577","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506313","8.6454","0.0012","10.7876","0.0017","13.704","0.002","90","","90","","90","","1278.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S)-2,6,7-Trimethyl-5-phenyl-1,4-dioxa-7-azaspiro[2.5]octan-8-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Pansare, Sunil V.; Adsool, Vikrant A.","Enantioselective synthesis of functionalized medium-sized oxacycles.","Organic letters","2006","8","25","5897","5899","10.1021/ol062484v","","","0.7107","MoKα","","0.0496","0.0446","","","0.1072","0.1103","","","","","","1.072","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506314","29.6799","0.0003","6.1328","","16.0196","0.0003","90","","96.368","0.002","90","","2897.91","0.06","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H34 Cl N3 O6 -","- C30 H34 Cl N3 O6 -","- C120 H136 Cl4 N12 O24 -","4","1","","Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa","Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.","Organic letters","2006","8","26","6051","6054","10.1021/ol062501g","","","0.71069","MoKα","","","0.0559","","","","0.1129","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506315","8.7336","0.0017","7.8955","0.0016","14.484","0.003","90","","95.04","0.03","90","","994.9","0.4","293","2","293","2","","","101","","","","Synthetic","5","P 1 c 1","P -2yc","7","Hydrazine Derivative","(E)-N-phthalyl-2-(3-chlorophenyl)-2-phenylcyclobutylidene hydrazine","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C48 H34 Cl2 N4 O4 -","2","1","","Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang","Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane.","Organic letters","2006","8","25","5877","5879","10.1021/ol062504t","","x-ray","0.71073","MoKα","","0.05","0.0393","","","0.0914","0.0947","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506316","9.544","0.002","11.546","0.003","10.453","0.003","90","0.0008","107.808","0.0009","90","0.0008","1096.7","0.5","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 -","- C32 H26 -","- C64 H52 -","2","0.5","","Ohkubo, Kei; Iwata, Ryosuke; Miyazaki, Soushi; Kojima, Takahiko; Fukuzumi, Shunichi","Photocatalytic formation of dimethyllepidopterene from 9,10-dimethylanthracene via electron-transfer oxidation.","Organic letters","2006","8","26","6079","6082","10.1021/ol062554y","","","0.7107","MoKα","","0.0498","0.0396","","","0.0988","0.1054","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506317","16.235","0.003","18.066","0.003","18.447","0.003","104.899","0.003","114.991","0.003","93.152","0.003","4655.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H39 Cl9 N2 O16 -","- C104 H39 Cl9 N2 O16 -","- C208 H78 Cl18 N4 O32 -","2","1","","Chuang, Shih-Ching; Khan, Saeed I.; Rubin, Yves","Switch of electronic reactivity in fullerene C60: activation of three trans-4 positions via temporary saturation of the cis-1 positions.","Organic letters","2006","8","26","6075","6078","10.1021/ol0625637","","","0.71073","MoKα","","0.155","0.0657","","","0.1514","0.1758","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506318","6.4138","0.0005","10.5196","0.0009","17.152","0.0014","90","","99.808","0.001","90","","1140.34","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 F2 N2 O4 S -","- C9 H9.5 F2.2 N2 O4 S -","- C36 H38 F8.8 N8 O16 S4 -","4","2","","Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling","Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.","Organic letters","2006","8","26","6083","6086","10.1021/ol062576k","","","0.71073","MoKα","","0.0618","0.0583","","","0.1624","0.1704","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506319","24.442","0.007","13.34","0.003","13.024","0.003","90","","95.52","0.02","90","","4226.9","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","1-Methyl-1-phenyl-dithieno[3,2-b:2',3'-d]phospholium triflate","","- C14 H18.38 F2.63 O2.63 P0.88 S3 -","- C16 H12 F3 O3 P S3 -","- C128 H96 F24 O24 P8 S24 -","8","1","","Durben, Stefan; Dienes, Yvonne; Baumgartner, Thomas","Cationic dithieno[3,2-b:2',3'-d]phospholes: a new building block for luminescent, conjugated polyelectrolytes.","Organic letters","2006","8","25","5893","5896","10.1021/ol062580w","","","0.71073","MoKα","","0.1222","0.0773","","","0.1888","0.204","","","","","","1.14","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1506320","23.721","0.003","23.721","0.003","12.93","0.003","90","","90","","120","","6300.8","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","Boc-(S,S)-c3diPhe-(R,R)-c3diPhe-NHiPr","","- C40 H43 N3 O4 -","- C40 H43 N3 O4 -","- C240 H258 N18 O24 -","6","1","","Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos","A helical, aromatic, peptide nanotube.","Organic letters","2006","8","26","6091","6094","10.1021/ol062600u","","","1.54178","CuKα","","0.0744","0.0605","","","0.1594","0.1708","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506321","5.9829","0.0011","7.272","0.0014","41.691","0.008","90","","90","","90","","1813.9","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F3 O4 -","- C18 H16 Br F3 O4 -","- C72 H64 Br4 F12 O16 -","4","1","","Zhao, Jun-Ling; Liu, Li; Sui, Yong; Liu, Yu-Liang; Wang, Dong; Chen, Yong-Jun","Catalytic and highly enantioselective Friedel-Crafts alkylation of aromatic ethers with trifluoropyruvate under solvent-free conditions.","Organic letters","2006","8","26","6127","6130","10.1021/ol0626037","","","0.71073","MoKα","","0.0578","0.051","","","0.1723","0.1776","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506322","9.8623","0.0007","10.1661","0.0008","24.4608","0.0017","90","","90","","90","","2452.5","0.3","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 Cu N6 O2 -","- C22 H30 Cl2 Cu N6 O2 -","- C88 H120 Cl8 Cu4 N24 O8 -","4","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.039","0.0344","","","0.0806","0.0817","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506323","12.0986","0.0018","12.7138","0.0018","13.3209","0.0017","77.309","0.016","81.44","0.016","74.732","0.017","1919.4","0.5","123","","123","1","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","1","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.0919","0.0748","","","0.2015","0.2104","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506324","11.1077","0.0006","11.1077","0.0006","24.942","0.003","90","","90","","120","","2665.1","0.4","150","","150","","","","","","","","","6","P 32","P 32","145","[Rh(dtbpb)(nbd)]PF6","[Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6","","- C33 H56 F6 O P3 Rh -","- C33 H56 F6 O P3 Rh -","- C99 H168 F18 O3 P9 Rh3 -","3","1","","Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro","Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.","Organic letters","2006","8","26","6103","6106","10.1021/ol062717i","","x-ray","0.71073","MoKα","","0.0588","0.0495","","","0.1129","0.12","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507214","24.946","0.003","24.946","0.003","24.946","0.003","90","","90","","90","","15524","3","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite","- Al71 Na71 O384 Si121 -","- Al71.04 Na70.56 O384 Si120.96 -","- Al71.04 Na70.56 O384 Si120.96 -","1","0.00520833","","Seo, S.M.; Kim, G.H.; Lee, H.S.; Ko, S.-O.; Lee, O.S.; Kim, Y.H.; Kim, S.H.; Heo, N.H.; Lim, W.T.","Single-crystal structure of fully dehydrated sodium zeolite Y (FAU), Na 71 (Si121 Al71 O384) - FAU","Analytical Sciences: X-ray Structure Analysis Online","2006","22","","x209","x210","10.2116/analscix.22.x209","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1507775","6.5454","0.0003","7.0643","0.0003","19.9697","0.0005","90","","99.382","0.002","90","","911.02","0.06","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Mo O11 P3 Pb2 -","- Mo O11 P3 Pb2 -","- Mo4 O44 P12 Pb8 -","4","1","","Leclaire, A; Raveau, B","A Mo(III) lead phosphate with an intersecting tunnel structure: Pb2Mo(P2O7)(PO4)","Materials Research Bulletin","2006","41","","967","972","10.1016/j.materresbull.2006.02.006","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508435","13.9751","0.001","6.2091","0.0004","6.3753","0.0004","90","","90","","90","","553.2","0.06","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu H3 O7 S Tb -","- Cu H3 O7 S Tb -","- Cu4 H12 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0198","0.0188","","","0.0482","0.0486","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508436","13.264","0.0009","6.1681","0.0004","6.5148","0.0005","90","","90","","90","","533","0.06","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0346","0.0339","","","0.0844","0.0848","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508437","13.256","0.0008","6.132","0.0004","6.4907","0.0004","90","","90","","90","","527.6","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.032","0.0316","","","0.0812","0.0814","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508438","7.0908","0.0006","7.2442","0.0006","10.3789","0.0009","90","","90","","90","","533.13","0.08","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Gd H3 Ni O7 S -","- Gd H3 Ni O7 S -","- Gd4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0219","0.0182","","","0.0432","0.0443","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508439","7.0438","0.0015","7.2424","0.0015","10.333","0.002","90","","90","","90","","527.13","0.19","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0218","0.0202","","","0.0528","0.0536","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508440","6.9667","0.0008","7.2008","0.0008","10.2499","0.0012","90","","90","","90","","514.19","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.025","0.0214","","","0.055","0.0562","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508441","11.6889","0.0007","6.866","0.0004","12.528","0.0008","90","","97.092","0.001","90","","997.75","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cu F H5 O12 S2 Tb2 -","- Cu F H5 O12 S2 Tb2 -","- Cu4 F4 H20 O48 S8 Tb8 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.037","0.0358","","","0.1039","0.1048","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509622","16.5328","","10.6286","","10.5452","","90","","90","","90","","1853.01","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K Ag11 (V O4)4","","- Ag11 K O16 V4 -","- Ag11 K O16 V4 -","- Ag44 K4 O64 V16 -","4","0.5","","Jansen, M.; Kovalevskiy, A.","Synthesis and crystal structure analysis of K Ag11 (V O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","413","436","10.1002/zaac.200500411","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509682","5.0488","","2.9149","","8.205","","90","","101.836","","90","","118.184","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag2 Ni O2 -","- Ag2 Ni O2 -","- Ag4 Ni2 O4 -","2","0.25","","Wedig, U.; Nuss, J.; Modrow, H.; Adler, P.; Jansen, M.","Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver","Solid State Sciences","2006","8","","753","763","10.1016/j.solidstatesciences.2006.04.004","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509761","5.983","","6.3239","","9.5762","","90","","90","","90","","362.324","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","1","","Oberndorfer, C.P.M.; Dinnebier, R.E.; Ibberson, R.M.; Jansen, M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509763","5.95492","","6.31001","","9.58082","","90","","92.4823","","90","","359.667","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","2","","Dinnebier, R.E.; Jansen, M.; Ibberson, R.M.; Oberndorfer, C.P.M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509923","5.9366","","5.9366","","32.1471","","90","","90","","120","","981.178","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ag5 (I O6)","","- Ag5 I O6 -","- Ag5 I O6 -","- Ag30 I6 O36 -","6","0.166667","","Jansen, M.; Kovalevskiy, A.","Synthesis, crystal structure determination, and physical properties of Ag5 I O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","577","581","10.1002/zaac.200500476","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510089","18.366","","5.411","","4.6503","","90","","90","","90","","462.139","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Au (P F3) Cl","","- Au Cl F3 P -","- Au Cl F3 P -","- Au4 Cl4 F12 P4 -","4","0.5","","Wagner, M.; Bolte, M.; Schoedel, F.; Lerner, H.-W.","Chlor(trifluorphosphane)gold(I): [Au (P F3) Cl]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","652","654","10.1002/zaac.200500453","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510146","7.496","","7.496","","7.315","","90","","90","","120","","355.962","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K (Au F6)","","- Au F6 K -","- Au F6 K -","- Au3 F18 K3 -","3","0.0833333","","Mazej, Z.; Goreshnik, E.","X-ray single crystal structures of Cd (Au F6)2, Mg (H F) Au F4 Au F6 and K Au F6 and vibrational spectra of Cd (Au F6)2 and K Au F6","Solid State Sciences","2006","8","","671","677","10.1016/j.solidstatesciences.2006.02.032","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510228","6.5652","","6.5652","","6.5652","","90","","90","","90","","282.972","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Lu Au Sn","","- Au Lu Sn -","- Au Lu Sn -","- Au4 Lu4 Sn4 -","4","0.0416667","","Poettgen, R.; Rayaprol, S.; Sebastian, C.P.; Hoffmann, R.D.; Eckert, H.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510293","6.4194","","6.4194","","6.4194","","90","","90","","90","","264.535","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Sc Au Sn","","- Au Sc Sn -","- Au Sc Sn -","- Au4 Sc4 Sn4 -","4","0.0416667","","Rayaprol, S.; Sebastian, C.P.; Poettgen, R.; Hoffmann, R.D.; Eckert, H.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510305","4.6355","","4.6355","","7.3726","","90","","90","","120","","137.197","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Y Au Sn","","- Au Sn Y -","- Au Sn Y -","- Au2 Sn2 Y2 -","2","0.166667","","Eckert, H.; Sebastian, C.P.; Hoffmann, R.D.; Poettgen, R.; Rayaprol, S.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510372","11.167","","8.7666","","10.08","","90","","118.026","","90","","871.081","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cd (Au F6)2","","- Au2 Cd F12 -","- Au2 Cd F12 -","- Au8 Cd4 F48 -","4","0.5","","Mazej, Z.; Goreshnik, E.","X-ray single crystal structures of Cd (Au F6)2, Mg (H F) Au F4 Au F6 and K Au F6 and vibrational spectra of Cd (Au F6)2 and K Au F6","Solid State Sciences","2006","8","","671","677","10.1016/j.solidstatesciences.2006.02.032","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510924","4.2405","","11.712","","7.3113","","90","","91.15","","90","","363.041","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La B3 O6","","- B3 La O6 -","- B3 La O6 -","- B12 La4 O24 -","4","1","","Heymann, G.; Soltner, T.; Huppertz, H.","delta-La (B O2)3 (= delta-La B3 O6): A new high-pressure modification of lanthanum meta-oxoborate","Solid State Sciences","2006","8","","821","829","10.1016/j.solidstatesciences.2006.03.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510981","8.77","","10.794","","10.791","","90","","95.94","","90","","1016.03","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ce6 (B O4)2 Ge9 O22","","- B2 Ce6 Ge9 O30 -","- B2 Ce6 Ge9 O30 -","- B4 Ce12 Ge18 O60 -","2","0.5","","Huppertz, H.; Heymann, G.","Multianvil high-pressure/high-temperature synthesis, crystal structure, and thermal behaviour of the rare-earth borogermanate Ce6 (B O4)2 Ge9 O22","Journal of Solid State Chemistry","2006","179","","370","377","10.1016/j.jssc.2005.10.028","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511247","5.32446","","9.22684","","6.06683","","90","","100.589","","90","","292.975","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na Sr B O3","","- B Na O3 Sr -","- B Na O3 Sr -","- B4 Na4 O12 Sr4 -","4","1","","Chen, X.L.; Wu, L.; Zhang, Y.; Kong, Y.F.; Xu, J.J.; Xu, Y.P.","AB initio structure determination of novel borate Na Sr B O3","Journal of Solid State Chemistry","2006","179","","1219","1224","10.1016/j.jssc.2006.01.003","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511389","10.9797","","6.1098","","8.3646","","90","","90","","90","","561.129","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg B12 Si2","","- B12 Mg Si2 -","- B12 Mg Si2 -","- B48 Mg4 Si8 -","4","0.5","","Hillebrecht, H.; Ludwig, T.","Synthesis and crystal structure of Mg B12 Si2 - The first ternary compound in the system B/Mg/Si","Journal of Solid State Chemistry","2006","179","","1623","1629","10.1016/j.jssc.2006.02.013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511489","9.59","","16.659","","22.919","","90","","90","","90","","3661.53","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba5 (B O3)2 (B2 O5)","","- B4 Ba5 O11 -","- B4 Ba5 O11 -","- B48 Ba60 O132 -","12","3","","Maksimov, B.A.; Fedorov, P.P.; Molchanov, V.N.; Kononova, N.G.; Furmanova, N.G.; Kokh, A.E.","Crystal structure of the novel barium borate Ba5 (B O3)2 (B2 O5)","Kristallografiya","2006","51","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511568","10.5167","","10.5167","","5.8146","","90","","90","","120","","556.941","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Y Ca3 (Ga O)3 (B O3)4","","- B4 Ca3 Ga3 O15 Y -","- B4 Ca3.005 Ga3 O15 Y0.995 -","- B8 Ca6.01 Ga6 O30 Y1.99 -","2","0.166667","","Yu, Y.; Li, R.K.; Wu, Q.S.","Structure of two new borates Y Ca3 (Al O)3 (B O3)4 and Y Ca3 (Ga O)3 (B O3)4","Journal of Solid State Chemistry","2006","179","","429","432","10.1016/j.jssc.2005.11.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511682","11.412","","11.412","","16.4131","","90","","90","","90","","2137.54","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Li7.2 B7 Se15","","- B7 Li7.2 Se15 -","- B7 Li7.28 Se15 -","- B28 Li29.12 Se60 -","4","0.25","","Lindemann, A.; Doech, M.; Nilges, T.; Krebs, B.; Puetz, S.; Eckert, H.; Hammerschmidt, A.","Li7 B7 Se15: A novel selenoborate with a zeolite-like polymeric anion structure","Solid State Sciences","2006","8","","764","772","10.1016/j.solidstatesciences.2006.04.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512865","13.5841","0.0003","16.3528","0.0004","21.0204","0.0005","90","","106.354","0.002","90","","4480.51","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O16 U2 -","- C40 H52 N4 O16 U2 -","- C160 H208 N16 O64 U8 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0773","0.0461","","","0.0823","0.09","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512866","11.5007","0.0002","8.2049","0.0001","21.5198","0.0005","90","","92.9907","0.0007","90","","2027.89","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 O10 U -","- C40 H56 N2 O10 U -","- C80 H112 N4 O20 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.061","0.0296","","","0.0498","0.0557","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512867","7.186","0.0002","13.5433","0.0005","14.3965","0.0005","92.854","0.002","94.564","0.002","92.227","0.002","1393.63","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","1","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0306","0.0289","","","0.0566","0.0574","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512868","8.795","0.0001","20.8201","0.0004","10.9669","0.0002","90","","99.156","0.001","90","","1982.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H56 N2 O8 U -","- C42 H56 N2 O8 U -","- C84 H112 N4 O16 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0654","0.0312","","","0.0602","0.0675","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512869","14.8509","0.0003","10.9267","0.0004","16.7848","0.0007","90","","102.04","0.002","90","","2663.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 N2 O8 U -","- C26.97 H39.91 N O4 U0.5 -","- C107.88 H159.64 N4 O16 U2 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0651","0.0327","","","0.0648","0.0729","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513998","11.384","0.002","17.894","0.003","11.099","0.002","90","","97.291","0.014","90","","2242.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O2 -","- C29 H28 N2 O2 -","- C116 H112 N8 O8 -","4","1","","Jean-Ho Chu; Wan-Sheung Li; Ito Chao; Gene-Hsiang Lee; Wen-Sheng Chung","Regioselectivity in the 1,3-dipolar cycloaddition of adamantylidenefulvene and its modification by inclusion in cyclodextrins' solutions","Tetrahedron","2006","62","31","7380","7389","10.1016/j.tet.2006.05.021","","","0.71073","MoKα","","0.0685","0.0422","","0.1198","0.1113","","","","1.099","1.241","1.241","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514000","16.5261","0.0013","10.5956","0.0009","11.9249","0.0009","90","","92.796","0.002","90","","2085.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O -","- C26 H31 N O -","- C104 H124 N4 O4 -","4","1","","Jean-Ho Chu; Wan-Sheung Li; Ito Chao; Gene-Hsiang Lee; Wen-Sheng Chung","Regioselectivity in the 1,3-dipolar cycloaddition of adamantylidenefulvene and its modification by inclusion in cyclodextrins' solutions","Tetrahedron","2006","62","31","7380","7389","10.1016/j.tet.2006.05.021","","","0.71073","MoKα","","0.1227","0.0862","","","0.2179","0.2483","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514002","9.8122","0.0001","12.9988","0.0002","13.1727","0.0002","106.823","0.0009","101.908","0.0008","94.8232","0.0009","1554.97","0.04","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","2","","Annamalai Senthilvelan; Gene-Hsiang Lee; Wen-Sheng Chung","A novel photoinduced ring opening and isomerization of adamantane-2-spiro isoxazolines using Mo(CO)6","Tetrahedron Letters","2006","47","40","7179","7183","10.1016/j.tetlet.2006.07.156","","","0.71073","MoKα","","0.0879","0.0495","","","0.1329","0.1572","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514022","35.5191","0.0003","9.625","0.0001","19.8381","0.0002","90","","91.2989","0.0004","90","","6780.34","0.11","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H40 N2 O7.5 -","- C40.5 H39.5 N2 O7.5 -","- C324 H316 N16 O60 -","8","1","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.0977","0.0696","","","0.2036","0.2351","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514023","9.6377","0.0002","9.6377","0.0002","35.9818","0.0007","90","","90","","90","","3342.18","0.12","150","1","150","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C42.25 H37 N2 O6.25 -","- C42.25 H37.02 N2 O6.25 -","- C169 H148.08 N8 O25 -","4","0.5","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.0563","0.0515","","","0.1355","0.1389","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514024","11.9873","0.0004","35.0966","0.0016","8.9562","0.0005","90","","97.735","0.002","90","","3733.7","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Cl3 N2 O7 -","- C44 H37 Cl3 N2 O7 -","- C176 H148 Cl12 N8 O28 -","4","1","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.1163","0.0738","","","0.1688","0.1948","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514028","4.5757","0.0004","2.8058","0.0002","5.749","0.0006","90","","90","","90","","73.809","0.011","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganate(III) - O","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Idemoto, Y.; Mochizuki, T.; Ui, K.; Koura, N.","Properties, crystal structure and performance of o-(Li Mn O2) as cathode material for Li secondary batteries","Journal of the Electrochemical Society","2006","153","2","A418","A424","10.1149/1.2142293","","","","","","0.0482","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514029","8.24726","0.0001","8.24726","0.0001","8.24726","0.0001","90","","90","","90","","560.956","0.012","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Wende, C.; Olimov, Kh.; Modrow, H.; Wagner, F. E.; Langbein, H.","Cation distribution, structure and magnetic properties of lithium manganese iron oxide spinel solid solutions","Materials Research Bulletin","2006","41","","1530","1542","10.1016/j.materresbull.2006.01.016","","","","","","0.0411","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514030","8.243","0.001","8.243","0.001","8.243","0.001","90","","90","","90","","560.09","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.94/2.03/4)","","- Li0.94 Mn2.034 O4 -","- Li0.94 Mn2.034 O4 -","- Li7.52 Mn16.272 O32 -","8","0.0416667","","Krins, N.; Hatert, F.; Traina, K.; Dusoulier, L.; Molenberg, I.; Fagnard, J. F.; Vanderbemden, P.; Rulmont, A.; Cloots, R.; Vertruyen, B.","Li Mn2-x Tix O4 spinel-type compounds (x <= 1): structural, electrical and magnetic properties","Solid State Ionics","2006","177","","1033","1040","10.1016/j.ssi.2006.04.001","","","","","","0.0161","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514031","8.2401","0.0009","8.2401","0.0009","8.2401","0.0009","90","","90","","90","","559.5","0.11","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.1/1.9/4)","","- Li1.104 Mn1.896 O4 -","- Li1.104 Mn1.896 O4 -","- Li8.832 Mn15.168 O32 -","8","0.0416667","","Takahashi, Y.; Kijima, N.; Akimoto, J.","Crystal growth and structural properties of the spinel-type Li1+x Mn2- x O4 (x = 0.10, 0.14)","Solid State Ionics","2006","177","","691","695","10.1016/j.ssi.2005.12.025","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514032","8.2273","0.001","8.2273","0.001","8.2273","0.001","90","","90","","90","","556.89","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.14/1.86/4)","","- Li1.144 Mn1.856 O4 -","- Li1.144 Mn1.856 O4 -","- Li9.152 Mn14.848 O32 -","8","0.0416667","","Takahashi, Y.; Kijima, N.; Akimoto, J.","Crystal growth and structural properties of the spinel-type Li1+x Mn2- x O4 (x = 0.10, 0.14)","Solid State Ionics","2006","177","","691","695","10.1016/j.ssi.2005.12.025","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514033","8.24509","0.00015","8.24509","0.00015","8.24509","0.00015","90","","90","","90","","560.514","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Songtao, Huang; Song, Cao; Su-Rong, Kan; Maoyou, Chu; Shigang, Lu; Jianyun, Shen","Structural and electrochemical properties of Li(+) and Co(3+)-codoped Li Mn2 O4","Xiyou Jinshu","2006","30","2","129","133","","","","","","","0.0664","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1516177","26.01","0.002","8.1572","0.0006","28.795","0.002","90","","113.518","0.004","90","","5601.9","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","beta-oCA","tetrachloro-o-benzoquinone, beta form","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C168 Cl112 O56 -","28","7","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.1128","0.0596","","","0.1561","0.1888","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516178","6.0592","0.0004","16.3472","0.0011","8.1183","0.0006","90","","94.249","0.001","90","","801.92","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrachloro-o-benzoquinone","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C24 Cl16 O8 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0434","0.0393","","","0.1017","0.1057","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516179","9.1022","0.0005","13.8161","0.0008","13.3595","0.0008","90","","100.202","0.001","90","","1653.49","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","durene tetrachloro-o-benzoquinnone","","- C16 H14 Cl4 O2 -","- C16 H14 Cl4 O2 -","- C64 H56 Cl16 O8 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0392","0.0362","","","0.0947","0.097","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516180","8.3157","0.0004","38.967","0.0018","14.2436","0.0006","90","","91.718","0.001","90","","4613.4","0.4","123","2","123","2","","","","","","","","4","P 1 c 1","P -2yc","7","","pyrene tetrachloro-o-benzoquinnone","","- C60 H30 Cl8 O4 -","- C60 H30 Cl8 O4 -","- C240 H120 Cl32 O16 -","4","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0543","0.0478","","","0.1074","0.1109","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516181","17","0.005","13.405","0.004","17.205","0.005","90","","97.907","0.01","90","","3883","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5',6',7',8'-Tetrachlorodispiro(1,3-dithiole-2,2'-(1,4)benzodioxine-3',2''-(1,3 )dithiole) dichloromethane solvate","","- C13 H6 Cl6 O2 S4 -","- C13 H6 Cl6 O2 S4 -","- C104 H48 Cl48 O16 S32 -","8","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.1004","0.0564","","","0.1074","0.1221","","","","","","0.836","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516182","7.17","0.003","16.961","0.006","12.731","0.005","90","","97.176","0.007","90","","1536.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrathiafulvalene tetrachloro-o-benzoquinnone","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C48 H16 Cl16 O8 S16 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.095","0.0485","","","0.09","0.1003","","","","","","0.773","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516183","10.587","0.005","11.677","0.005","12.74","0.006","63.152","0.007","67.095","0.008","68.555","0.008","1259.4","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate diethylether disolvate","","- C35 H80 B11 O4 S4 -","- C35 H80 B11 O4 S4 -","- C35 H80 B11 O4 S4 -","1","0.5","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0628","0.0485","","","0.1363","0.1444","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516184","9.1393","0.0008","13.3909","0.0013","12.5744","0.001","90","","109.609","0.005","90","","1449.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TTf+ Car-","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate","","- C19 H40 B11 S4 -","- C19 H40 B11 S4 -","- C38 H80 B22 S8 -","2","0.5","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0514","0.0454","","","0.1292","0.1319","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516185","12.4283","0.0009","12.4686","0.0008","12.8462","0.0009","85.951","0.002","88.997","0.001","78.875","0.001","1948.4","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","2","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.0907","0.0444","","","0.1033","0.1284","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516186","25.049","0.003","11.3809","0.0012","14.7771","0.0015","90","","117.603","0.002","90","","3733.2","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.0817","0.0493","","","0.1376","0.1607","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516187","14.8162","0.0012","14.8987","0.0012","8.3482","0.0007","90","","90.134","0.002","90","","1842.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.1383","0.0521","","","0.1212","0.1538","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516731","11.247","0.002","15.014","0.002","25.636","0.005","90","","102.346","0.008","90","","4228.8","1.3","293","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H15 Cr O5 P -","- C23 H15 Cr O5 P -","- C184 H120 Cr8 O40 P8 -","8","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.041","","","","0.038","","","","","","1.46","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516732","13.2726","0.0009","15.6622","0.0009","8.6557","0.0006","90","","106.297","0.011","90","","1727","0.2","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cr O5 P -","- C17 H11 Cr O5 P -","- C68 H44 Cr4 O20 P4 -","4","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.035","","","","0.038","","","","","","1.34","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516733","13.352","0.003","15.931","0.003","8.707","0.001","90","","105.98","0.01","90","","1780.5","0.6","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O5 P W -","- C17 H11 O5 P W -","- C68 H44 O20 P4 W4 -","4","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.031","","","","0.02","","","","","","1.78","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516734","18.071","0.004","15.375","0.003","15.554","0.003","104.07","0.03","113.02","0.03","98.53","0.03","3711.9","1.9","270","2","271","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O100 -","- C108 H88 N2 O98.27 -","- C108 H88 N2 O98.27 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.5608","AgKα","","0.101","0.0896","","","0.236","0.2514","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516735","18.025","0.004","15.364","0.003","15.541","0.003","103.83","0.03","113.06","0.03","98.61","0.03","3699.8","1.9","265","2","265","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O97 -","- C106.2 H96 N1.85 O94.12 -","- C106.2 H96 N1.85 O94.12 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.1031","0.0991","","","0.2473","0.2524","","","","","","1.19","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516736","17.97","0.004","15.393","0.003","15.514","0.003","103.18","0.03","113.22","0.03","98.91","0.03","3693.4","1.9","260","2","260","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O99 -","- C98.652 H98 N1.221 O95.153 -","- C98.652 H98 N1.221 O95.153 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.0951","0.0925","","","0.2223","0.2263","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516737","17.915","0.002","15.405","0.003","15.542","0.002","103.04","0.01","113.35","0.01","99.15","0.01","3685.5","1.1","220","2","220","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O102 -","- C108 H98 N2 O101 -","- C108 H98 N2 O101 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.1064","0.0832","","","0.22","0.2503","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516738","17.896","0.002","15.389","0.003","15.519","0.002","103.01","0.01","113.43","0.01","99.07","0.01","3672","1.1","220","2","220","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O100 -","- C105.2 H103 N1.85 O99.74 -","- C105.2 H103 N1.85 O99.74 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.0826","0.0741","","","0.2002","0.2143","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516739","17.78","0.06","15.31","0.06","15.35","0.06","102.76","0.06","113.31","0.06","99.24","0.06","3596","2","20","2","20","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H154 N2 O101 -","- C104 H103 N1.75 O100.336 -","- C104 H103 N1.75 O100.336 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.5608","AgKα","","0.0934","0.0859","","","0.2206","0.2304","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516741","11.2885","0.0005","14.123","0.0006","17.4374","0.0007","90","","90","","90","","2780","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O3 S2 -","- C17 H12 O3 S2 -","- C136 H96 O24 S16 -","8","1","","Sugiyasu, Kazunori; Song, Changsik; Swager, Timothy M.","Aromaticity in Tropone-Containing Polythiophene","Macromolecules","2006","39","17","5598","","10.1021/ma061423+","","","0.71073","MoKα","","0.0332","0.0312","","","0.0841","0.0861","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516742","38.884","0.007","8.6698","0.0017","7.8123","0.0014","90","","92.945","0.015","90","","2630.2","0.8","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H33 F O8 -","- C27 H33 F O8 -","- C108 H132 F4 O32 -","4","1","","Morton, Gillian E.; Barrett, Anthony G. M.","Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.","Organic letters","2006","8","13","2859","2861","10.1021/ol061007+","","","1.54248","CuKα","","0.086","0.0521","","","0.1231","0.1451","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516743","10.6365","0.0012","16.1655","0.0019","18.138","0.002","90","","90","","90","","3118.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N3 O P -","- C39 H36 N3 O P -","- C156 H144 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0403","0.0378","","","0.0908","0.0924","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516744","10.9951","0.0015","16.296","0.002","18.095","0.003","90","","90","","90","","3242.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N3 O P -","- C40 H38 N3 O P -","- C160 H152 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0331","0.031","","","0.0752","0.0767","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516745","19.596","0.002","7.5959","0.0009","12.4831","0.0014","90","","107.84","0.002","90","","1768.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O2 Si2 -","- C38 H42 O2 Si2 -","- C76 H84 O4 Si4 -","2","0.5","","Liu, Yuanhong; Gao, Hongjun","New zirconium-mediated approach toward regio- and stereocontrolled synthesis of trans-enediynes.","Organic letters","2006","8","2","309","311","10.1021/ol052706+","","","0.71073","MoKα","","0.0748","0.047","","","0.104","0.112","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516746","14.8638","0.0006","15.4624","0.0006","16.3768","0.0006","90","","90","","90","","3763.9","0.3","277.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 B N O3 -","- C24 H18 B N O3 -","- C192 H144 B8 N8 O24 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio","Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.","Organic letters","2006","8","4","761","764","10.1021/ol053026+","","","0.7107","MoKα","","","0.0677","","","","0.1602","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516747","13.574","0.004","4.9473","0.0013","36.772","0.01","90","","96.297","0.003","90","","2454.5","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 N6 -","- C3 H8 N6 -","- C48 H128 N96 -","16","2","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0681","0.054","","","0.1287","0.1333","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516748","7.2044","0.001","8.5549","0.0014","15.472","0.003","90","","99.564","0.007","90","","940.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 -","- C8 H10 N6 -","- C32 H40 N24 -","4","1","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0428","0.0354","","","0.1007","0.1051","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516749","6.4456","0.0009","6.4456","0.0009","12.53","0.003","90","","90","","90","","520.57","0.16","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C12 H32 N8 O8 -","4","0.5","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0435","0.0335","","","0.0784","0.0796","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516751","15.037","0.009","18.91","0.01","19.84","0.01","81.38","0.06","87.14","0.06","66.8","0.05","5126","5","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C107 H47 Cl4 F40 N9 O -","- C107 H47 Cl4 F40 N9 O -","- C214 H94 Cl8 F80 N18 O2 -","2","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.7107","MoKα","","","0.098","","","","0.139","","","","","","1.272","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516752","7.773","0.002","6.401","0.002","8.075","0.003","90","","103.792","0.005","90","","390.2","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","1","","Hong, Bor-Cherng; Wu, Ming-Fun; Tseng, Hsing-Chang; Liao, Ju-Hsiou","Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol.","Organic letters","2006","8","11","2217","2220","10.1021/ol060486+","","","0.71073","MoKα","","0.0561","0.0518","","","0.1301","0.1334","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516753","7.6565","0.0005","16.5845","0.0011","27.3457","0.0018","90","","90","","90","","3472.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O2 Si2 -","- C35 H59 N O2 Si2 -","- C140 H236 N4 O8 Si8 -","4","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. The total synthesis of (+)-nodulisporic acid F.","Organic letters","2006","8","8","1665","1668","10.1021/ol060290+","","","0.71069","MoKα","","0.0553","0.0498","","","0.1074","0.111","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516755","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo","Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.","Organic letters","2006","8","17","3813","3816","10.1021/ol0614065","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516757","6.4053","0.0016","15.414","0.004","14.888","0.004","90","","101.497","0.005","90","","1440.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0508","0.0459","","","0.1262","0.1301","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516758","10.4287","0.0019","9.2211","0.0017","15.589","0.003","90","","95.126","0.004","90","","1493.1","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 O3 S -","- C35 H34 O3 S -","- C70 H68 O6 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0499","0.0446","","","0.109","0.1117","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516759","6.248","0.002","16.63","0.005","13.443","0.004","90","","103.304","0.006","90","","1359.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0609","0.0452","","","0.1146","0.1218","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516760","7.4039","0.0018","12.927","0.003","24.736","0.006","90","","90","","90","","2367.5","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C88 H88 Br8 O16 S8 -","8","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0969","0.0733","","","0.2317","0.2426","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516761","10.1655","0.0018","11.398","0.002","15.36","0.003","90","","102.624","0.003","90","","1736.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 S2 -","- C18 H18 O4 S2 -","- C72 H72 O16 S8 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1202","0.0979","","","0.2205","0.2343","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516762","4.9466","0.0007","9.9378","0.0015","12.6847","0.0019","105.346","0.003","96.246","0.003","102.488","0.003","577.9","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C22 H22 Br2 O4 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0562","0.0478","","","0.1169","0.1203","","","","","","0.882","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516763","11.05","0.004","6.388","0.002","16.42","0.006","90","","93.997","0.008","90","","1156.2","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1017","0.0478","","","0.0858","0.0976","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519765","9.2767","0.0011","10.467","0.002","15.0969","0.0013","79.283","0.013","84.701","0.008","65.476","0.016","1310.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","1","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C56H48N8Ni1O4P2S4","Crystal Structure Report Archive","2006","","","243","","","","","0.71073","MoKα","","0.0573","0.0416","","","0.0918","0.0991","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519766","11.9856","0.0009","17.7146","0.0011","15.2383","0.0005","90","","101.808","0.004","90","","3166.9","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N2 O4 P2 S4 -","- C28 H30 Cd N2 O4 P2 S4 -","- C112 H120 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C28H30Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","245","","","","","0.71073","MoKα","","0.0399","0.0273","","","0.0586","0.0637","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519767","12.1056","0.0006","17.5149","0.0011","15.3373","0.0012","90","","99.041","0.006","90","","3211.5","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","- C112 H128 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C28H32Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","246","","","","","0.71073","MoKα","","0.0375","0.0281","","","0.0607","0.0647","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519768","10.3791","0.0006","17.5735","0.0008","8.103","0.0003","90","","100.512","0.003","90","","1453.16","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cd N2 O4 P2 S4 -","- C26 H28 Cd N2 O4 P2 S4 -","- C52 H56 Cd2 N4 O8 P4 S8 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C26H28Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","247","","","","","0.71073","MoKα","","0.0291","0.0236","","","0.0543","0.0572","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519769","10.7073","0.0004","16.3214","0.0004","19.5513","0.0006","90","","91.799","0.002","90","","3415.06","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cd N2 O4 P2 S4 -","- C29 H34 Cd N2 O4 P2 S4 -","- C116 H136 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C29H34Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","248","","","","","0.71073","MoKα","","0.0461","0.0311","","","0.0663","0.0727","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519770","15.2643","0.0004","14.7356","0.0003","10.5323","0.0002","90","","94.988","0.001","90","","2360.04","0.09","150","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Hg2 O8 P4 S8 -","- C36 H48 Hg2 O8 P4 S8 -","- C72 H96 Hg4 O16 P8 S16 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C36H48Hg2O8P4S8","Crystal Structure Report Archive","2006","","","249","","","","","0.71073","MoKα","","0.0253","0.0211","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519771","15.2671","0.0003","14.7379","0.0002","10.5379","0.0003","90","","95.004","0.001","90","","2362.04","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Hg2 O8 P4 S8 -","- C36 H48 Hg2 O8 P4 S8 -","- C72 H96 Hg4 O16 P8 S16 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C36H48Hg2O8P4S8","Crystal Structure Report Archive","2006","","","250","","","","","0.71073","MoKα","","0.0231","0.0207","","","0.0437","0.0446","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519772","8.156","0.002","14.103","0.004","16.38","0.006","90.94","0.02","99.31","0.02","100.91","0.02","1823.5","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br8 I5 N6 -","- C18 H15 Br8 I5 N6 -","- C36 H30 Br16 I10 N12 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H15Br8I5N6","Crystal Structure Report Archive","2006","","","254","","","","","0.71073","MoKα","","0.1154","0.0517","","","0.1027","0.1239","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519773","10.9213","0.0008","11.8985","0.0007","14.892","0.0011","90","","90","","90","","1935.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br2 I N6 -","- C18 H12.99 Br2 I N6 -","- C72 H51.96 Br8 I4 N24 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H13Br2I1N6","Crystal Structure Report Archive","2006","","","255","","","","","0.71073","MoKα","","0.0498","0.0441","","","0.1264","0.1303","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519774","19.6222","0.0011","7.8609","0.0003","21.3982","0.0011","90","","90","","90","","3300.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H40 B4 Fe2 O8 -","- C36 H40 B4 Fe2 O8 -","- C144 H160 B16 Fe8 O32 -","4","0.5","","Aldridge, Simon; Male, Louise; Hursthouse, Michael B.","C36H40B4Fe2O8","Crystal Structure Report Archive","2006","","","329","","","","","0.71073","MoKα","","0.1451","0.0905","","","0.1459","0.1676","","","","","","1.219","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519775","42.3472","0.001","9.8258","0.0003","17.1627","0.0003","90","","99.789","0.001","90","","7037.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl2 P2 Pd2 S2 -","- C32 H36 Cl2 P2 Pd2 S2 -","- C256 H288 Cl16 P16 Pd16 S16 -","8","1","","Dervisi, Athanasia; Horton, Peter N.; Hursthouse, Michael B.","C32H36Cl2P2Pd2S2","Crystal Structure Report Archive","2006","","","1058","","","","","0.71073","MoKα","","0.0533","0.0378","","","0.0858","0.0913","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519776","24.595","0.002","24.595","0.002","48.278","0.006","90","","90","","120","","25291","4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 B3 F78 Fe4 Ga4 O8 -","- C143.88 H95.85 B3 F78 Fe3.99 Ga4 O7.98 -","- C863.28 H575.1 B18 F468 Fe23.94 Ga24 O47.88 -","6","0.333333","","Aldridge, Simon; Horton, Peter N.; Hursthouse, Michael B.","C144H96B3F78Fe4Ga4O8","Crystal Structure Report Archive","2006","","","1180","","","","","0.71073","MoKα","","0.1306","0.0974","","","0.2097","0.227","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519777","8.8804","0.0002","14.1275","0.0004","14.1255","0.0003","91.749","0.002","107.376","0.002","107.382","0.001","1600.04","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 N3 Ni O5 P2 S4 -","- C28 H33 N3 Ni O5 P2 S4 -","- C56 H66 N6 Ni2 O10 P4 S8 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H33N3Ni1O5P2S4","Crystal Structure Report Archive","2006","","","229","","","","","0.71073","MoKα","","0.0756","0.0419","","","0.0895","0.1031","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519778","9.1961","0.0003","10.5439","0.0004","12.5033","0.0004","113.948","0.002","98.202","0.002","95.732","0.002","1079.84","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C42 H44 Fe N2 Ni O4 P2 S4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C21H22Fe0.5N1Ni0.5O2P1S2","Crystal Structure Report Archive","2006","","","231","","","","","0.71073","MoKα","","0.0734","0.0421","","","0.0849","0.0955","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519779","12.113","0.005","16.307","0.006","19.257","0.008","90","","90","","90","","3804","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N Ni S4 -","- C40 H52 N Ni S4 -","- C160 H208 N4 Ni4 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Male, Louise; Harrington, Ross; Clegg, Bill; Huth, Susanne L.; Hursthouse, Michael B.","C40H52N1Ni1S4","Crystal Structure Report Archive","2006","","","232","","","","","0.6905","synchrotron","","0.0679","0.0529","","","0.122","0.1317","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519780","9.1961","0.0003","10.5439","0.0004","12.5033","0.0004","113.948","0.002","98.202","0.002","95.732","0.002","1079.84","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C42 H44 Fe N2 Ni O4 P2 S4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C21H22Fe0.5N1Ni0.5O2P1S2","Crystal Structure Report Archive","2006","","","233","","","","","0.71073","MoKα","","0.0734","0.0421","","","0.0849","0.0955","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519781","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C20H13Br7N2","Crystal Structure Report Archive","2006","","","234","","","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519782","8.18","0.0002","9.8839","0.0002","10.4172","0.0002","90.737","0.001","101.898","0.001","100.785","0.001","808.42","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","1","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H32Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","235","","","","","0.71073","MoKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519783","11.3361","0.0002","11.3717","0.0003","8.3386","0.0002","90","","90","","90","","1074.93","0.04","120","2","120","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C14 H20 Co N2 O4 P2 S4 -","- C14 H20 Co N2 O4 P2 S4 -","- C28 H40 Co2 N4 O8 P4 S8 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C14H20Co1N2O4P2S4","Crystal Structure Report Archive","2006","","","237","","","","","0.71073","MoKα","","0.0206","0.0197","","","0.0575","0.0584","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519784","11.9835","0.0003","17.4682","0.0003","15.301","0.0004","90","","98.856","0.001","90","","3164.78","0.13","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O4 P2 S4 Zn -","- C28 H32 N2 O4 P2 S4 Zn -","- C112 H128 N8 O16 P8 S16 Zn4 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H32N2O4P2S4Zn","Crystal Structure Report Archive","2006","","","238","","","","","0.71073","MoKα","","0.0545","0.0376","","","0.0756","0.0829","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519785","10.2973","0.0008","29.825","0.005","9.3067","0.0011","90","","90.417","0.01","90","","2858.2","0.6","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H60 Cl2 N8 Ni Pt2 -","- C56 H60 Cl2 N8 Ni Pt2 -","- C112 H120 Cl4 N16 Ni2 Pt4 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C56H60Cl2N8Ni1Pt2","Crystal Structure Report Archive","2006","","","241","","","","","0.71073","MoKα","","0.0295","0.0269","","","0.0666","0.0675","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519786","25.0178","0.001","8.8338","0.0002","16.5583","0.0006","90","","97.264","0.002","90","","3630.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 I2 N8 Ni -","- C40 H28 I2 N8 Ni -","- C160 H112 I8 N32 Ni4 -","4","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C40H28I2N8Ni1","Crystal Structure Report Archive","2006","","","242","","","","","0.71073","MoKα","","0.0508","0.0416","","","0.104","0.1101","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528283","5.6833","","5.6833","","9.3556","","90","","90","","120","","261.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.59 -","- Ba Mn O2.5965 -","- Ba4 Mn4 O10.386 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528284","5.6376","","5.6376","","9.2241","","90","","90","","120","","253.889","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.95 -","- Ba Mn O2.9505 -","- Ba4 Mn4 O11.802 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528285","5.58539","","5.58539","","9.2123","","90","","90","","120","","248.889","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.5 Sr0.5 Mn O2.77","","- Ba0.5 Mn O2.77 Sr0.5 -","- Ba0.5 Mn O2.778 Sr0.5 -","- Ba2 Mn4 O11.112 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0 <= x <= 0.35) and 4H-Ba0.5 Sr0.5 Mn O(3-x) (0 <= x <= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528286","5.5528","","5.5528","","9.1471","","90","","90","","120","","244.252","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Ba0.5 Sr0.5) Mn O2.96","","- Ba0.5 Mn O2.96 Sr0.5 -","- Ba0.5 Mn O2.967 Sr0.5 -","- Ba2 Mn4 O11.868 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528287","5.62732","","5.62732","","9.208","","90","","90","","120","","252.522","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.958 -","- Ba Mn O2.958 -","- Ba4 Mn4 O11.832 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528288","5.539","","5.539","","9.1236","","90","","90","","120","","242.415","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.5 Sr0.5 Mn O2.991","","- Ba0.5 Mn O2.991 Sr0.5 -","- Ba0.5 Mn O2.991 Sr0.5 -","- Ba2 Mn4 O11.964 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0 <= x <= 0.35) and 4H-Ba0.5 Sr0.5 Mn O(3-x) (0 <= x <= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528293","8.9055","","11.0825","","2.8524","","90","","90","","90","","281.518","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Na Mn2 O4","","- Mn2 Na O4 -","- Mn2 Na O4 -","- Mn8 Na4 O16 -","4","0.5","","Akimoto, J.; Tokiwa, K.; Awaka, J.; Kijima, K.; Takahashi, Y.; Watanabe, T.; Maruta, Y.","High pressure synthesis and crystal structure analysis of Na Mn2 O4 with the calcium ferrite-type structure","Journal of Solid State Chemistry","2006","179","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528294","20.063","","8.967","","18.023","","90","","96.12","","90","","3223.95","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nd ((C H3)2 N C H O)4 (H2 O)3 Cr (C N)6 (H2 O)2","","- C18 H28 Cr N10 Nd O9 -","- C18 H38 Cr N10 Nd O9 -","- C72 H152 Cr4 N40 Nd4 O36 -","4","1","","Akitsu, T.; Einaga, Y.","Structures, magnetic properties, and XPS of cyanide-bridged Nd(III)/Sm(III)/Gd(III)-Cr(III) complexes","Inorganica Chimica Acta","2006","359","","1421","1426","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528295","6.5965","","10.9595","","9.6633","","90","","96.457","","90","","694.17","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","La2 (S O4)2 (C4 O4) (H2 O)4","","- C4 H8 La2 O16 S2 -","- C4 H8 La2 O16 S2 -","- C8 H16 La4 O32 S4 -","2","0.5","","Akkari, H.; Merazig, H.; Benard-Rocherulle, P.; Roisnel, T.; Rocherulle, J.","Hydrothermal synthesis, crystal structure and thermal behaviour of the first lanthanide sulfato-squarate, La2 (H2 O)4 (S O4)2 (C4 O4)","Solid State Sciences","2006","8","","704","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528298","11.426","","11.328","","6.5735","","90","","90","","90","","850.833","","","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","Na0.5 Pb2 (B5 O9) (O H)1.5 (H2 O)0.5","","- B5 H2.5 Na0.5 O11 Pb2 -","- B5 H Na0.5 O11 Pb2 -","- B20 H4 Na2 O44 Pb8 -","4","1","","Al'-Ama, A.G.; Dimitrova, O.V.; Belokoneva, E.L.; Stefanovich, S.Yu.; Mochenova, N.N.","A new nonlinear optical borate, Na0.5 Pb2 [B5 O9] (O H)1.5 . 0.5H2 O, from the orthorhombic hilgardite family","Kristallografiya","2006","51","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528302","5.44727","","11.3198","","5.31009","","90","","90","","90","","327.431","","","","","","","","","","","","","6","P c m 21","P 2c -2c","26","","Ca2.5 Sr0.5 Ga Co0.15 Mn1.85 O8","","- Ca2.5 Co0.15 Ga Mn1.85 O8 Sr0.5 -","- Ca2.5 Co0.15 Ga Mn1.85 O8 Sr0.5 -","- Ca5 Co0.3 Ga2 Mn3.7 O16 Sr -","2","0.5","","Allix, M.; Battle, P.D.; Ruiz-Bustos, R.; Rosseinsky, M.J.; Frampton, P.P.C.","Composition dependence of the structural chemistry and magnetism of Ca2.5 Sr0.5 (Ga,Co)(1+x) Mn(2-x) O8","Journal of Solid State Chemistry","2006","179","","775","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528303","5.4411","","11.3823","","5.3063","","90","","90","","90","","328.631","","","","","","","","","","","","","5","P c m 21","P 2c -2c","26","","Ca2.5 Sr0.5 Ga1.2 Mn1.8 O8","","- Ca2.5 Ga1.2 Mn1.8 O8 Sr0.5 -","- Ca2.5 Ga1.2 Mn1.8 O8 Sr0.5 -","- Ca5 Ga2.4 Mn3.6 O16 Sr -","2","0.5","","Allix, M.; Battle, P.D.; Frampton, P.P.C.; Rosseinsky, M.J.; Ruiz-Bustos, R.","Composition dependence of the structural chemistry and magnetism of Ca2.5 Sr0.5 (Ga,Co)(1+x) Mn(2-x) O8","Journal of Solid State Chemistry","2006","179","","775","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528304","5.5031","","5.4653","","7.7961","","90","","90","","90","","234.476","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Sr0.94 La0.94 Mn Ti O6","","- La0.94 Mn O6 Sr0.94 Ti -","- La0.948 Mn O6 Sr0.948 Ti -","- La1.896 Mn2 O12 Sr1.896 Ti2 -","2","0.25","","Alvarez-Serrano, I.; Veiga, M.L.; Pico, C.; Lopez, M.L.","CMR in a manganite with 50% of Ti in Mn sites","Solid State Sciences","2006","8","","37","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528327","5.5529","","5.5529","","7.8993","","90","","90","","90","","243.573","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe Mo O6","","- Fe Mo O6 Sr2 -","- Fe Mo O6 Sr2 -","- Fe2 Mo2 O12 Sr4 -","2","0.125","","Azad, A.K.; Eriksson, S.G.; Tseggai, M.; Eriksson, A.; Khan, A.","Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528328","5.5557","","5.5557","","7.8877","","90","","90","","90","","243.46","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr1.9 Nd0.1 Fe Mo O6","","- Fe Mo Nd0.1 O6 Sr1.9 -","- Fe Mo Nd0.1 O6 Sr1.9 -","- Fe2 Mo2 Nd0.2 O12 Sr3.8 -","2","0.125","","Azad, A.K.; Khan, A.; Eriksson, S.G.; Eriksson, A.; Tseggai, M.","Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528329","5.5609","","5.5578","","7.8884","","90","","89.72","","90","","243.799","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr1.6 Nd0.4 Fe Mo O6","","- Fe Mo Nd0.4 O6 Sr1.6 -","- Fe Mo Nd0.4 O6 Sr1.6 -","- Fe2 Mo2 Nd0.8 O12 Sr3.2 -","2","0.5","","Azad, A.K.; Eriksson, A.; Eriksson, S.G.; Khan, A.; Tseggai, M.","Electron doping effect on structural and magnetic phase transistions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528332","9.0431","","9.1796","","9.2711","","89.693","","70.202","","89.53","","724.096","","","","","","","","","","","","","6","P -1","-P 1","2","","Ni (N H3 C H (P O3 H)2)2 (H2 O)3","","- C2 H18 N2 Ni O15 P4 -","- C2 H18 N2 Ni O15 P4 -","- C4 H36 N4 Ni2 O30 P8 -","2","1","","Bao Songsong; Wang Tianwei; Li Yizhi; Zheng Limin","Metal phosphonates based on aminomethylenediphosphonate: syntheses and characterization of Na4 Zn {N H3 C H (P O3)2}2.4H2 O, Ni {N H3 C H (P O3 H)2}2.xH2 O and Na Ni2 {N H3 C H (P O3) (P O3 H0.5)}2 (H2 O)2.2H2 O","Journal of Solid State Chemistry","2006","179","","413","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528333","5.5508","","6.1663","","12.424","","92.422","","92.687","","93.926","","423.342","","","","","","","","","","","","","7","P -1","-P 1","2","","Na4 Zn (N H3 C H (P O3)2)2 (H2 O)4","","- C2 H16 N2 Na4 O16 P4 Zn -","- C2 H16 N2 Na4 O16 P4 Zn -","- C2 H16 N2 Na4 O16 P4 Zn -","1","0.5","","Bao Songsong; Wang Tianwei; Li Yizhi; Zheng Limin","Metal phosphonates based on aminomethylenediphosphonate: syntheses and characterization of Na4 Zn {N H3 C H (P O3)2}2.4H2 O, Ni {N H3 C H (P O3 H)2}2.xH2 O and Na Ni2 {N H3 C H (P O3) (P O3 H0.5)}2 (H2 O)2.2H2 O","Journal of Solid State Chemistry","2006","179","","413","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528335","12.425","","19.86","","13.882","","90","","100.767","","90","","3365.22","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Nd6 Mo10 O39","","- Mo10 Nd6 O39 -","- Mo10 Nd6 O39 -","- Mo40 Nd24 O156 -","4","0.5","","Barker, R.S.; Evans, I.R.","An investigation of the Nd2 O3 - Mo O3 phase system: Thermal decomposition of Nd2 Mo4 O15 and formation of Nd6 Mo10 O39","Journal of Solid State Chemistry","2006","179","","1918","1923","","","","","","","","","","","","","","","","","","","","","","has coordinates","150436","2020-10-21","18:00:00",""
"1528341","17.413","","4.7856","","5.6638","","90","","90","","90","","471.974","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Co ((C H3) P O3) (H2 O)","","- C H3 Co O4 P -","- C H3 Co O4 P -","- C4 H12 Co4 O16 P4 -","4","1","","Bauer, E.M.; Bellitto, C.; Mahmoud, M.R.; Portalone, G.; Ibrahim, S.A.; Colapietro, M.; Righini, G.","Layered hybrid organic-inorganic Co(II) alkylphosphonates. Synthesis, crystal structure and magnetism of the first two members of the series: Co [(C H3 P O3) (H2 O)] and Co [(C2 H5 P O3) (H2 O)]","Journal of Solid State Chemistry","2006","179","","389","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528342","10.15","","10.15","","6.7938","","90","","90","","120","","606.144","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca5 (V O4)3 Cl","","- Ca5 Cl O12 V3 -","- Ca5 Cl1.002 O12 V3 -","- Ca10 Cl2.004 O24 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528343","10.2073","","10.2073","","7.3067","","90","","90","","120","","659.286","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sr5 (V O4)3 Cl","","- Cl O12 Sr5 V3 -","- Cl O12 Sr5 V3 -","- Cl2 O24 Sr10 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528344","10.5468","","10.5468","","7.7437","","90","","90","","120","","745.969","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba5 (V O4)3 Cl","","- Ba5 Cl O12 V3 -","- Ba5 Cl O12 V3 -","- Ba10 Cl2 O24 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528345","5.32056","","7.5029","","5.25902","","90","","90","","90","","209.938","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cd0.8 Na0.2 V O3","","- Cd0.8 Na0.2 O3 V -","- Cd0.8 Na0.2 O3 V -","- Cd3.2 Na0.8 O12 V4 -","4","0.5","","Belik, A.A.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and characterization of Cd V O3-delta and solid solutions Cd V O3 - Na V O3","Journal of Solid State Chemistry","2006","179","","1650","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528346","5.33435","","7.5232","","5.26394","","90","","90","","90","","211.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd V O3","","- Cd O3 V -","- Cd O3 V -","- Cd4 O12 V4 -","4","0.5","","Belik, A.A.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and characterization of Cd V O(3-delta) and solid solutions Cd V O3 - Na V O3","Journal of Solid State Chemistry","2006","179","","1650","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528347","17.045","","6.66","","6.473","","90","","90","","90","","734.813","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Pb P S4","","- K P Pb S4 -","- K P Pb S4 -","- K4 P4 Pb4 S16 -","4","0.5","","Belkyal, I.; El Azhari, M.; Wu, Y.-D.; Depmeier, W.; Hesse, K.F.; Bensch, W.","Synthesis and crystal structure of the new quaternary thiophosphate K Pb P S4","Solid State Sciences","2006","8","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528355","10.587","","10.587","","10.587","","90","","90","","90","","1186.64","","","","","","","","","","","","","9","F d -3 m :1","F 4d 2 3 -1d","227","","(Ba0.39 Tl0.20 Ce0.04 Th0.05) (Nb1.8 Ti0.19 Fe0.01) O5.47 (O H)0.53","","- Ba0.39 Ce0.04 Fe0.01 H0.53 Nb1.8 O6 Th0.05 Ti0.19 Tl0.2 -","- Ba0.39 Ce0.04 Fe0.01 Nb1.8 O6 Th0.05 Ti0.19 Tl0.216 -","- Ba3.12 Ce0.32 Fe0.08 Nb14.4 O48 Th0.4 Ti1.52 Tl1.728 -","8","0.0416667","","Bindi, L.; Petricek, V.; Zoppi, M.; Withers, R.L.; Bonazzi, P.","A novel high-temperature commensurate superstructure in a natural bariopyrochlore: a structural study by means of a multiphase crystal structure refinement","Journal of Solid State Chemistry","2006","179","","729","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528356","20.974","","20.974","","20.974","","90","","90","","90","","9226.64","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ba20 Nb16 Ti2 O53","","- Ba20 Nb16 O53 Ti2 -","- Ba20 Nb16 O53 Ti2 -","- Ba160 Nb128 O424 Ti16 -","8","0.0833333","","Bindi, L.; Petricek, V.; Bonazzi, P.; Withers, R.L.; Zoppi, M.","A novel high-temperature commensurate superstructure in a natural bariopyrochlore: a structural study by means of a multiphase crystal structure refinement","Journal of Solid State Chemistry","2006","179","","729","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","150481","2020-10-21","18:00:00",""
"1528357","5.4584","","5.4577","","5.4837","","90","","90","","90","","163.361","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd0.7 Pb0.3 Mn O3","","- Mn Nd0.7 O3 Pb0.3 -","- Mn Nd0.7 O3 Pb0.3 -","- Mn4 Nd2.8 O12 Pb1.2 -","4","0.5","","Blanco, J.J.; Insausti, M.; de Muro, I.G.; Rojo, T.; Lezama, L.","Neutron diffraction and magnetic study of the Nd0.7 Pb0.3 Mn(1-x) Fe(x) O3","Journal of Solid State Chemistry","2006","179","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528358","5.4597","","5.4583","","5.4864","","90","","90","","90","","163.498","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Nd0.7 Pb0.3 Mn0.9 Fe0.1 O3","","- Fe0.1 Mn0.9 Nd0.7 O3 Pb0.3 -","- Fe0.1 Mn0.9 Nd0.7 O3 Pb0.3 -","- Fe0.4 Mn3.6 Nd2.8 O12 Pb1.2 -","4","0.5","","Blanco, J.J.; Insausti, M.; de Muro, I.G.; Lezama, L.; Rojo, T.","Neutron diffraction and magnetic study of the Nd0.7 Pb0.3 Mn(1-x) Fe(x) O3","Journal of Solid State Chemistry","2006","179","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","150487","2020-10-21","18:00:00",""
"1528359","5.349","","5.6089","","7.6687","","90","","90","","90","","230.076","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Gd Fe O3","","- Fe Gd O3 -","- Fe Gd O3 -","- Fe4 Gd4 O12 -","4","0.5","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528360","5.355","","5.5993","","7.6715","","90","","90","","90","","230.024","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Gd0.95 Sr0.05 Fe O3","","- Fe Gd0.95 O3 Sr0.05 -","- Fe Gd0.95 O3 Sr0.05 -","- Fe4 Gd3.8 O12 Sr0.2 -","4","0.5","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528361","5.4656","","5.4433","","7.6954","","90","","90","","90","","228.945","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Gd0.333 Sr0.667 Fe O2.96","","- Fe Gd0.333 O2.96 Sr0.667 -","- Fe Gd0.333 O2.961 Sr0.667 -","- Fe4 Gd1.332 O11.844 Sr2.668 -","4","0.5","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528362","3.8654","","3.8654","","3.8654","","90","","90","","90","","57.754","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Gd0.333 Sr0.667 Fe O2.90","","- Fe Gd0.333 O2.9 Sr0.667 -","- Fe Gd0.333 O2.9001 Sr0.667 -","- Fe Gd0.333 O2.9001 Sr0.667 -","1","0.0208333","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528363","3.8582","","3.8582","","3.8582","","90","","90","","90","","57.432","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Gd0.125 Sr0.875 Fe O2.95","","- Fe Gd0.125 O2.95 Sr0.875 -","- Fe Gd0.125 O2.9499 Sr0.875 -","- Fe Gd0.125 O2.9499 Sr0.875 -","1","0.0208333","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528364","3.8531","","3.8531","","3.8531","","90","","90","","90","","57.205","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sr Fe O2.96","","- Fe O2.96 Sr -","- Fe O2.9601 Sr -","- Fe O2.9601 Sr -","1","0.0208333","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528370","3.8886","","3.8886","","20.8977","","90","","90","","120","","273.663","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr2 N Cl","","- Cl N Sr2 -","- Cl N Sr2 -","- Cl3 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528371","3.9129","","3.9129","","21.4254","","90","","90","","120","","284.091","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sr2 N Cl0.49 Br0.51","","- Br0.51 Cl0.49 N Sr2 -","- Br0.51 Cl0.49 N Sr2 -","- Br1.53 Cl1.47 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528372","3.9324","","3.9324","","21.838","","90","","90","","120","","292.455","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr2 N Br","","- Br N Sr2 -","- Br N Sr2 -","- Br3 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528373","4.0103","","4.0103","","23.1138","","90","","90","","120","","321.926","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr2 N I","","- I N Sr2 -","- I N Sr2 -","- I3 N3 Sr6 -","3","0.0833333","","Bowman, A.; Gregory, D.H.; Smith, R.I.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528374","3.9738","","3.9738","","22.5326","","90","","90","","120","","308.144","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sr2 N Br0.41 I0.59","","- Br0.41 I0.59 N Sr2 -","- Br0.41 I0.59 N Sr2 -","- Br1.23 I1.77 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528377","9.5462","","14.3678","","5.0174","","90","","97.086","","90","","682.92","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ta F5","","- F5 Ta -","- F5 Ta -","- F40 Ta8 -","8","1","","Brewer, S.A.; Hope, E.G.; Fawcett, J.; Brisdon, A.K.; Holloway, J.H.; Holliman, P.J.; Russell, D.R.","Re-evaluation of the x-ray crystal structure of [Ta4 F20] and the synthesis and characterization of a series of mixed-metal pentafluorides of niobium and tantalum","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","325","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528388","4.16158","","4.16158","","4.16158","","90","","90","","90","","72.073","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mo N0.506 -","- Mo N0.506 -","- Mo4 N2.024 -","4","0.0208333","","Bull, C.L.; Takayama-Muromachi, E.; McMillan, P.F.; Machon, D,; Shebanova, O.; Daisenberger, D.; Kawashima, T.; Soignard, E.; Chapon, L.C.","Crystal structure and high-pressure properties of gamma-Mo2 N determined by neutron powder diffraction and x-ray diffraction","Journal of Solid State Chemistry","2006","179","","1762","1767","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528391","5.6314","","8.6226","","6.2439","","90","","90","","90","","303.187","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Mg (V O4)","","- Li Mg O4 V -","- Li Mg O4 V -","- Li4 Mg4 O16 V4 -","4","0.25","","Capsoni, D.; Galinetto, P.; Bini, M.; Mustarelli, P.; Belotti, F.; Massarotti, V.","Cation distribution in Li Mg V O4 and Li Zn V O4: structural and spectroscopic study","J. Phys. Chem. B","2006","110","","5409","5415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528392","14.1857","","14.1857","","9.4879","","90","","90","","120","","1653.49","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Zn V O4","","- Li1.048 O4 V0.974 Zn0.982 -","- Li1.048 O4 V0.974 Zn0.982 -","- Li18.864 O72 V17.532 Zn17.676 -","18","1","","Capsoni, D.; Bini, M.; Massarotti, V.; Mustarelli, P.; Belotti, F.; Galinetto, P.","Cation distribution in Li Mg V O4 and Li Zn V O4: structural and spectroscopic study","J. Phys. Chem. B","2006","110","","5409","5415","","","","","","","","","","","","","","","","","","","","","","has coordinates","150555","2020-10-21","18:00:00",""
"1528394","5.4198","","16.6219","","5.517","","90","","90","","90","","497.012","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.6 Sr0.4 Mn O2.5","","- La0.6 Mn O2.5 Sr0.4 -","- La0.6 Mn O2.5 Sr0.4 -","- La4.8 Mn8 O20 Sr3.2 -","8","1","","Casey, P.S.; Barker, D.; Hayward, M.A.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528395","11.3032","","5.4959","","17.2879","","90","","109.109","","90","","1014.77","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","La0.75 Sr0.25 Mn O2.5","","- La0.75 Mn O2.5 Sr0.25 -","- La0.75 Mn O2.5 Sr0.25 -","- La12 Mn16 O40 Sr4 -","16","4","","Casey, P.S.; Hayward, M.A.; Barker, D.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528396","11.333","","5.5165","","17.25","","90","","109.159","","90","","1018.71","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","La0.8 Sr0.2 Mn O2.5","","- La0.8 Mn O2.5 Sr0.2 -","- La0.8 Mn O2.5 Sr0.2 -","- La12.8 Mn16 O40 Sr3.2 -","16","4","","Casey, P.S.; Barker, D.; Hayward, M.A.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528401","3.7756","","3.7756","","12.47488","","90","","90","","90","","177.831","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Nd Sr Ni0.8 Cu0.2 O3.94","","- Cu0.2 Nd Ni0.8 O3.94 Sr -","- Cu0.2 Nd Ni0.8 O3.944 Sr -","- Cu0.4 Nd2 Ni1.6 O7.888 Sr2 -","2","0.0625","","Chaker, H.; Ben Hassen, R.; Roisnel, T.; Amami, M.; Cador, O.","Neutron powder diffraction studies of Nd Sr Ni(1-x) Cu(x) O(4-delta), 0 <= x <= 1, and magnetic properties","Solid State Sciences","2006","8","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528402","3.75581","","3.75581","","12.64663","","90","","90","","90","","178.395","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Nd Sr Ni0.4 Cu0.6 O3.78","","- Cu0.6 Nd Ni0.4 O3.78 Sr -","- Cu0.6 Nd Ni0.4 O3.784 Sr -","- Cu1.2 Nd2 Ni0.8 O7.568 Sr2 -","2","0.0625","","Chaker, H.; Roisnel, T.; Ben Hassen, R.; Cador, O.; Amami, M.","Neutron powder diffraction studies of Nd Sr Ni(1-x) Cu(x) O(4-delta), 0 <= x <= 1, and magnetic properties","Solid State Sciences","2006","8","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528403","7.524","","9.574","","7.45","","90","","90","","90","","536.659","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Ti O As O4","","- As Li O5 Ti -","- As Li O5 Ti -","- As4 Li4 O20 Ti4 -","4","0.5","","Chakir, M.; El Jazouli, A.; Chaminade, J.P.; Bouree, F.; de Waal, D.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528404","7.463","","6.462","","7.351","","90","","90","","90","","354.509","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Li Ti O As0.5 P0.5 O4","","- As0.5 Li O5 P0.5 Ti -","- As0.5 Li O5 P0.5 Ti -","- As2 Li4 O20 P2 Ti4 -","4","0.5","","Chakir, M.; de Waal, D.; El Jazouli, A.; Bouree, F.; Chaminade, J.P.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528405","7.401","","6.375","","7.235","","90","","90","","90","","341.357","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Ti O P O4","","- Li O5 P Ti -","- Li O5 P Ti -","- Li4 O20 P4 Ti4 -","4","0.5","","Chakir, M.; El Jazouli, A.; de Waal, D.; Chaminade, J.P.; Bouree, F.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528406","8.9095","","8.9095","","22.255","","90","","90","","120","","1529.91","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 Mg Zr (P O4)3","","- Mg Na3 O12 P3 Zr -","- Mg Na2.999 O12 P3 Zr -","- Mg6 Na17.994 O72 P18 Zr6 -","6","0.166667","","Chakir, M.; El Jazouli, A.; de Waal, D.","Synthesis, crystal structure and spectroscopy properties of Na3 A Zr (P O4)3 (A = Mg, Ni) and Li2.6 Na0.4 Ni Zr (P O4)3 phosphates","Journal of Solid State Chemistry","2006","179","","1883","1891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528407","8.8909","","8.8909","","22.225","","90","","90","","120","","1521.47","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 Ni Zr (P O4)3","","- Na3 Ni O12 P3 Zr -","- Na3.001 Ni O12 P3 Zr -","- Na18.006 Ni6 O72 P18 Zr6 -","6","0.166667","","Chakir, M.; El Jazouli, A.; de Waal, D.","Synthesis, crystal structure and spectroscopy properties of Na3 A Zr (P O4)3 (A = Mg, Ni) and Li2.6 Na0.4 Ni Zr (P O4)3 phosphates","Journal of Solid State Chemistry","2006","179","","1883","1891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528409","5.5313","","5.5313","","8.0832","","90","","90","","90","","247.308","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Mn Sb O6","","- Mn O6 Sb Sr2 -","- Mn O6 Sb Sr2 -","- Mn2 O12 Sb2 Sr4 -","2","0.125","","Cheah, M.; Saines, P.J.; Kennedy, B.J.","The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn Sb O6","Journal of Solid State Chemistry","2006","179","","1775","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528410","7.9829","","7.9829","","7.9829","","90","","90","","90","","508.724","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Mn Sb O6","","- Mn O6 Sb Sr2 -","- Mn O6 Sb Sr2 -","- Mn4 O24 Sb4 Sr8 -","4","0.0208333","","Cheah, M.; Saines, P.J.; Kennedy, B.J.","The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn Sb O6","Journal of Solid State Chemistry","2006","179","","1775","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528413","8.2196","","8.2196","","5.1217","","90","","90","","120","","299.672","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 Nb0.5 Ga5.5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Chernaya, T.S.; Molchanov, V.N.; Kazantsev, S.S.; Verin, I.A.; Blomberg, M.K.; Maksimov, B.A.; Simonov, V.I.","Crystal structure of La3 Nb0.5 Ga5.5 O14 at 20 K","Kristallografiya","2006","51","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","150593","2020-10-21","18:00:00",""
"1528435","11.0053","","22.828","","24.398","","101.66","","102.974","","103.558","","5592.69","","","","","","","","","","","","","7","P -1","-P 1","2","","Li ((C H3)2 Si O)6 (Al (O C (C F3)3)4)","","- C28 H18 Al F36 Li O10 Si6 -","- C28 H18 Al F36 Li O10 Si6 -","- C112 H72 Al4 F144 Li4 O40 Si24 -","4","2","","Decken, A.; Passmore, J.; Wang, X.","Cyclic dimethylsiloxanes as pseudo crown ethers: syntheses and characterization of Li (Me2 Si O)5 [Al {O C (C F3)3}4], Li (Me2 Si O)6 [Al {O C (C F3)3}4], and Li (Me2 Si O)6 [Al {O C (C F3)2 Ph}4]","Angewandte Chemie (Edition international)","2006","45","","2773","2777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528441","28.3409","","5.9407","","28.6585","","90","","114.264","","90","","4398.85","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr Te O3","","- O3 Sr Te -","- O3 Sr Te -","- O144 Sr48 Te48 -","48","6","","Dityat'yev, O.A.; Aldous, D.W.; Dolgikh, V.A.; Berdonosov, P.S.; Lightfoot, P.","On the crystal structures of Sr Te O3","Solid State Sciences","2006","8","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528448","9.502","","3.8802","","12.305","","90","","90","","90","","453.681","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi S2 Cl","","- Bi Cl Mn S2 -","- Bi Cl Mn S2 -","- Bi4 Cl4 Mn4 S8 -","4","0.5","","Doussier, C.; Andre, G.; Moelo, Y.; Leone, P.; Janod, E.","Magnetic study of two isotypic manganese chloro-sulfides: Mn Sb S2 Cl and the new compound Mn Bi S2 Cl","Journal of Solid State Chemistry","2006","179","","486","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528449","12.669","","3.8509","","9.585","","90","","91","","90","","467.553","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Mn Sb S2 Br","","- Br Mn S2 Sb -","- Br Mn S2 Sb -","- Br4 Mn4 S8 Sb4 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528450","9.995","","4.0275","","12.928","","90","","90","","90","","520.415","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi Se2 Br","","- Bi Br Mn Se2 -","- Bi Br Mn Se2 -","- Bi4 Br4 Mn4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528451","10.005","","3.972","","12.871","","90","","90","","90","","511.492","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Sb Se2 Br","","- Br Mn Sb Se2 -","- Br Mn Sb Se2 -","- Br4 Mn4 Sb4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528452","10.046","","25.994","","3.9689","","90","","90","","90","","1036.42","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Mn2 Sb2 Se4 Br2","","- Br2 Mn2 Sb2 Se4 -","- Br2 Mn2 Sb2 Se4 -","- Br8 Mn8 Sb8 Se16 -","4","0.5","","Doussier, C.; Leone, P.; Moelo, Y.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","150691","2020-10-21","18:00:00",""
"1528456","5.58","","7.208","","8.309","","90","","90","","90","","334.193","","","","","","","","","","","","","4","P m c b","-P 2bc 2","55","","Er Al Ge O5","","- Al Er Ge O5 -","- Al Er Ge O5 -","- Al4 Er4 Ge4 O20 -","4","0.5","","Durand, A.; Mentre, O.; Abraham, F.; Elouadi, B.; Fukuda, T.","Crystal structure or Er Al Ge O5 and evidence of a peculiar double coordination sphere of Al(III) and Ge(IV) cations","Solid State Sciences","2006","8","","155","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528474","4.9781","","4.9781","","24.2459","","90","","90","","120","","520.351","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Er Co3","","- Co3 Er -","- Co3 Er -","- Co27 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528475","4.98638","","4.98638","","26.03","","90","","90","","120","","560.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Er Co3 D1.37","","- Co3 D1.37 Er -","- Co3 D1.36933 Er -","- Co27 D12.324 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528476","5.22488","","5.22488","","26.12214","","90","","90","","120","","617.578","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Er Co3","","- Co3 Er -","- Co3 Er -","- Co27 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528477","5.2218","","5.2218","","26.0456","","90","","90","","120","","615.043","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Er Co3 D3.71","","- Co3 D3.71 Er -","- Co3 D3.72 Er -","- Co27 D33.48 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528479","5.41517","","5.46006","","22.7699","","90","","90","","90","","673.241","","","","","","","","","","","","","5","I m a m","-I 2c 2","74","","Co Sr2 Y Cu2 O7","","- Co Cu2 O7 Sr2 Y -","- Co Cu2 O7 Sr2 Y -","- Co4 Cu8 O28 Sr8 Y4 -","4","0.25","","Fjellvag, H.; Morita, Y.; Awana, V.P.S.; Lee, J.-H.; Nagai, T.; Chen, J.-M.; Matsui, Y.; Liu, R.-S.; Yamauchi, H.; Hauback, B.C.; Karppinen, M.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528480","5.402","","5.44701","","22.7989","","90","","90","","90","","670.852","","","","","","","","","","","","","6","I m a m","-I 2c 2","74","","Co Sr2 (Y0.6 Ca0.4) Cu2 O7","","- Ca0.4 Co Cu2 O7 Sr2 Y0.6 -","- Ca0.4 Co Cu2 O7 Sr2 Y0.6 -","- Ca1.6 Co4 Cu8 O28 Sr8 Y2.4 -","4","0.25","","Fjellvag, H.; Nagai, T.; Morita, Y.; Karppinen, M.; Awana, V.P.S.; Lee, J.-H.; Matsui, Y.; Liu, R.-S.; Chen, J.-M.; Hauback, B.C.; Yamauchi, H.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528481","3.8157","","3.8157","","11.272","","90","","90","","90","","164.115","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Co Sr2 (Y0.6 Ca0.4) Cu2 O7.152","","- Ca0.4 Co Cu2 O7.152 Sr2 Y0.6 -","- Ca0.4 Co Cu2 O7.152 Sr2 Y0.6 -","- Ca0.4 Co Cu2 O7.152 Sr2 Y0.6 -","1","0.0625","","Fjellvag, H.; Morita, Y.; Chen, J.-M.; Lee, J.-H.; Nagai, T.; Awana, V.P.S.; Liu, R.-S.; Hauback, B.C.; Matsui, Y.; Yamauchi, H.; Karppinen, M.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528482","5.4183","","5.4447","","33.605","","90","","90","","90","","991.382","","","","","","","","","","","","","6","I m a m","-I 2c 2","74","","Co Sr2 (Ce0.67 Y0.33)3 Cu2 O11","","- Ce2.01 Co Cu2 O11 Sr2 Y0.99 -","- Ce2.01 Co Cu2 O11 Sr2 Y0.99 -","- Ce8.04 Co4 Cu8 O44 Sr8 Y3.96 -","4","0.25","","Fjellvag, H.; Morita, Y.; Nagai, T.; Lee, J.-H.; Chen, J.-M.; Karppinen, M.; Hauback, B.C.; Liu, R.-S.; Matsui, Y.; Yamauchi, H.; Awana, V.P.S.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528487","9.3762","","9.3762","","2.7786","","90","","90","","120","","211.549","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na Li2 Ru6 O12","","- Li2 Na O12 Ru6 -","- Li2 Na O12 Ru6 -","- Li2 Na O12 Ru6 -","1","0.0833333","","Foo, M.L.; He, T.; Lawes, G.; Zandbergen, H.W.; Huang, Q.; Cava, R.J.; Ramirez, A.P.; Siegrist, T.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528488","9.4053","","9.4053","","2.7672","","90","","90","","120","","211.991","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","K Li2 Ru6 O12","","- K Li2 O12 Ru6 -","- K Li2 O12 Ru6 -","- K Li2 O12 Ru6 -","1","0.0833333","","Foo, M.L.; Lawes, G.; He, T.; Huang, Q.; Siegrist, T.; Zandbergen, H.W.; Ramirez, A.P.; Cava, R.J.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528489","9.3775","","16.2522","","5.56143","","90.3955","","89.869","","90.034","","847.567","","","","","","","","","","","","","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","","Li Na0.54 Ru3 O6","","- Li Na0.54 O6 Ru3 -","- Li Na0.536 O6 Ru3 -","- Li8 Na4.288 O48 Ru24 -","8","","","Foo, M.L.; Zandbergen, H.W.; Huang, Q.; He, T.; Lawes, G.; Cava, R.J.; Siegrist, T.; Ramirez, A.P.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528490","9.3665","","19.2324","","5.5501","","90.436","","89.869","","90.025","","999.765","","","","","","","","","","","","","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","","Na0.5 Li Ru3 O6","","- Li Na0.5 O6 Ru3 -","- Li Na0.5 O6 Ru3 -","- Li8 Na4 O48 Ru24 -","8","","","Foo, M.L.; He, T.; Zandbergen, H.W.; Ramirez, A.P.; Huang, Q.; Lawes, G.; Siegrist, T.; Cava, R.J.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528491","5.88779","","5.88779","","13.5538","","90","","90","","120","","406.908","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba ((Mn2.04 Ru3.96) O11)","","- Ba Mn2.04 O11 Ru3.96 -","- Ba Mn2.038 O11 Ru3.962 -","- Ba2 Mn4.076 O22 Ru7.924 -","2","0.0833333","","Foo, M.L.; Lee, W.-L.; Huang, Q.; Lynn, J.W.; Hagemann, I.S.; Klimczuk, T.; Ong, N.P.; Cava, R.J.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528492","5.84453","","5.84453","","13.8099","","90","","90","","120","","408.527","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Cu0.98 Ru5 O11","","- Ba Cu0.98 O11 Ru5 -","- Ba Cu0.975 O11 Ru5 -","- Ba2 Cu1.95 O22 Ru10 -","2","0.0833333","","Foo, M.L.; Lee, W.-L.; Huang, Q.; Klimczuk, T.; Lynn, J.W.; Hagemann, I.S.; Ong, N.P.; Cava, R.J.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528493","5.7554","","5.7554","","21.621","","90","","90","","120","","620.237","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ba Ru O3","","- Ba O3 Ru -","- Ba O3 Ru -","- Ba9 O27 Ru9 -","9","0.25","","Foo, M.L.; Huang, Q.; Cava, R.J.; Lynn, J.W.; Hagemann, I.S.; Lee, W.-L.; Ong, N.P.; Klimczuk, T.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528494","5.8113","","5.8113","","13.7893","","90","","90","","120","","403.292","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Li0.55 Ru5 O11","","- Ba Li0.55 O11 Ru5 -","- Ba Li0.55 O11 Ru5 -","- Ba2 Li1.1 O22 Ru10 -","2","0.0833333","","Foo, M.L.; Huang, Q.; Lynn, J.W.; Lee, W.-L.; Hagemann, I.S.; Klimczuk, T.; Ong, N.P.; Cava, R.J.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528495","4.9274","","8.786","","9.886","","90","","100.023","","90","","421.454","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li0.80 O3 Ru","","- Li0.8 O3 Ru -","- Li0.8 O3 Ru -","- Li6.4 O24 Ru8 -","8","1","","Foo, M.L.; Klimczuk, T.; Huang, Q.; Lee, W.-L.; Lynn, J.W.; Cava, R.J.; Hagemann, I.S.; Ong, N.P.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528496","5.8808","","5.8808","","13.533","","90","","90","","120","","405.32","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Mn2 Ru4 O11)","","- Ba Mn2 O11 Ru4 -","- Ba Mn1.999 O11 Ru4.001 -","- Ba2 Mn3.998 O22 Ru8.002 -","2","0.0833333","","Foo, M.L.; Huang, Q.; Lynn, J.W.; Lee, W.-L.; Klimczuk, T.; Cava, R.J.; Hagemann, I.S.; Ong, N.P.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528498","24.082","","12.7912","","11.9559","","90","","90","","90","","3682.87","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H48 Cl4 Mo2 N12 P4 -","- C24 H48 Cl4 Mo2 N12 P4 -","- C96 H192 Cl16 Mo8 N48 P16 -","4","1","","Frost, B.J.; Miller, S.B.; Rove, K.O.; Pearson, D.M.; Mebi, C.A.; Korinek, J.D.; Harkreader, J.L.; Shearer, J.","Synthesis, characterization, and crystal structure of a quadruply bonded dimolybdenum(II) complex containing the water-soluble phosphine 1,3,5-triaza-7-phophaadamantane (PTA)","Inorganica Chimica Acta","2006","359","","283","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528499","6.07918","","6.04547","","8.53909","","90","","90.134","","90","","313.824","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba2 Nd Nb O6","","- Ba2 Nb Nd O6 -","- Ba2 Nb Nd O6 -","- Ba4 Nb2 Nd2 O12 -","2","0.25","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528500","5.99856","","5.99856","","8.52","","90","","90","","90","","306.573","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba2 Gd Nb O6 -","- Ba2 Gd Nb O6 -","- Ba4 Gd2 Nb2 O12 -","2","0.125","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528501","5.98428","","5.98428","","8.48173","","90","","90","","90","","303.744","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Tb Nb O6","","- Ba2 Nb O6 Tb -","- Ba2 Nb O6 Tb -","- Ba4 Nb2 O12 Tb2 -","2","0.125","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528502","8.43159","","8.43159","","8.43159","","90","","90","","90","","599.416","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Y Nb O6","","- Ba2 Nb O6 Y -","- Ba2 Nb O6 Y -","- Ba8 Nb4 O24 Y4 -","4","0.0208333","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528503","6.14448","","6.09131","","8.604","","90","","90.348","","90","","322.024","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Ba2 La Nb O6 -","- Ba2 La Nb O6 -","- Ba4 La2 Nb2 O12 -","2","0.25","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528509","6.1869","","11.2066","","7.1484","","90","","90","","90","","495.628","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Cu O2.5","","- Cu O2.5 Y -","- Cu O2.5 Y -","- Cu8 O20 Y8 -","8","1","","Garlea, V.O.; Bordet, P.; Darie, C.; Isnard, O.","Synthesis and neutron diffraction structural analysis of oxidized delafossite Y Cu O2.5","Solid State Sciences","2006","8","","457","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528529","11.0286","","7.7351","","5.53419","","89.894","","90","","90","","472.106","","","","","","","","","","","","","4","P n 1 1","P -2xbc","7","","Bi0.75 Sr0.25 Mn O3","","- Bi0.75 Mn O3 Sr0.25 -","- Bi0.75 Mn O3 Sr0.25 -","- Bi6 Mn8 O24 Sr2 -","8","4","","Goff, R.J.; Attfield, J.P.","Combined powder neutron and x-ray diffraction study of charge and orbital order in Bi0.75 Sr0.25 Mn O3","Journal of Solid State Chemistry","2006","179","","1369","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528543","12.0458","","12.0458","","17.501","","90","","90","","90","","2539.42","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca8.63 Sr2.37 Sb10","","- Ca8.63 Sb10 Sr2.37 -","- Ca8.6 Sb10 Sr2.4 -","- Ca34.4 Sb40 Sr9.6 -","4","0.125","","Gupta, S.; Ganguli, A.K.","Preferential occupation of alkaline-earth metal sites in a seemingly disordered solid solution of Ca(11-x) Sr(x) Sb10: Single crystal structures of Ca8.63(5) Sr2.37 Sb10 and Ca3.66(7) Sr7.34 Sb10","Journal of Solid State Chemistry","2006","179","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","150940","2020-10-21","18:00:00",""
"1528544","12.3498","","12.3498","","17.767","","90","","90","","90","","2709.78","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca3.66 Sr7.34 Sb10","","- Ca3.66 Sb10 Sr7.34 -","- Ca3.64 Sb10 Sr7.36 -","- Ca14.56 Sb40 Sr29.44 -","4","0.125","","Gupta, S.; Ganguli, A.K.","Preferential occupation of alkaline-earth metal sites in a seemingly disordered solid solution of Ca(11-x) Sr(x) Sb10: Single crystal structures of Ca8.63(5) Sr2.37 Sb10 and Ca3.66(7) Sr7.34 Sb10","Journal of Solid State Chemistry","2006","179","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","150941","2020-10-21","18:00:00",""
"1528545","8.0436","","4.8163","","8.4547","","90","","90","","90","","327.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Li Sb","","- Li Sb Sr -","- Li Sb Sr -","- Li4 Sb4 Sr4 -","4","0.5","","Gupta, S.; Ganguli, A.K.","Synthesis, structure and properties of a new Zintl phase: Sr Li Sb","Journal of Solid State Chemistry","2006","179","","1318","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528557","6.538","","7.756","","9.131","","96.17","","107.23","","101.4","","426.647","","","","","","","","","","","","","3","P -1","-P 1","2","","Al V O4","","- Al O4 V -","- Al O4 V -","- Al6 O24 V6 -","6","3","","Hansen, M.R.; Madsen, G.K.H.; Jakobsen, H.J.; Skibsted, J.","Evaluation of 27.Al and 51.V electric field gradients and the crystal structure for aluminum orthovanadate (Al V O4) by density functional theory calculations","J. Phys. Chem. B","2006","110","","5975","5983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528575","6.2882","","8.0459","","9.3255","","105.881","","107.202","","101.467","","412.929","","","","","","","","","","","","","5","P -1","-P 1","2","","Na0.5 Cu1.335 Fe2 (P O4)3","","- Cu1.335 Fe2 Na0.5 O12 P3 -","- Cu1.335 Fe2 Na0.5 O12 P3 -","- Cu2.67 Fe4 Na O24 P6 -","2","1","","Hidouri, M.; Lajmi, B.; Wattiaux, A.; Fournes, L.; Darriet, B.; Amara, M.B.","Crystal structure, magnetic susceptibility and Moessbauer spectroscopy of the mixed-valence iron phosphate Na1/2 Cu4/3 Fe2 (P O4)3","Journal of Solid State Chemistry","2006","179","","1808","1813","","","","","","","","","","","","","","","","","","","","","","has coordinates","151003","2020-10-21","18:00:00",""
"1528576","6.6329","","10.2397","","11.7025","","90","","96.452","","90","","789.787","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Os (C O)4 Cl2","","- C4 Cl2 O4 Os -","- C4 Cl2 O4 Os -","- C16 Cl8 O16 Os4 -","4","0.5","","Hirva, P.; Haukka, M.; Jakonen, M.; Pakkanen, T.A.","Growth of the metal framework in linear ruthenium and osmium carbonyls","Inorganica Chimica Acta","2006","359","","853","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528577","5.8055","","5.8055","","11.626","","90","","90","","90","","391.841","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Os (C O)4 Cl2","","- C4 Cl2 O4 Os -","- C4 Cl2 O4 Os -","- C8 Cl4 O8 Os2 -","2","0.125","","Hirva, P.; Haukka, M.; Jakonen, M.; Pakkanen, T.A.","Growth of the metal framework in linear ruthenium and osmium carbonyls","Inorganica Chimica Acta","2006","359","","853","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528592","6.26539","","6.26539","","10.22812","","90","","90","","120","","347.714","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Yb Ba Co4 O6.95","","- Ba Co4 O6.95 Yb -","- Ba Co4 O7 Yb -","- Ba2 Co8 O14 Yb2 -","2","0.333333","","Huq, A.; Mitchell, J.F.; Radaelli, P.G.; Zheng, H.; Chapon, L.C.; Stephens, P.W.; Knight, K.S.","Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7","Journal of Solid State Chemistry","2006","179","","1136","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528593","6.25114","","10.89335","","10.18697","","90","","90","","90","","693.69","","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","Yb Ba Co4 O6.95","","- Ba Co4 O6.95 Yb -","- Ba Co4 O7 Yb -","- Ba4 Co16 O28 Yb4 -","4","1","","Huq, A.; Stephens, P.W.; Zheng, H.; Chapon, L.C.; Mitchell, J.F.; Knight, K.S.; Radaelli, P.G.","Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7","Journal of Solid State Chemistry","2006","179","","1136","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528596","5.5835","","5.5613","","7.887","","90","","90","","90","","244.903","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","(La0.89 Sr0.11) (Ga0.56 Mg0.24 Fe0.20) O2.62","","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.62 Sr0.11 -","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.62 Sr0.11 -","- Fe0.8 Ga2.24 La3.56 Mg0.96 O10.48 Sr0.44 -","4","0.5","","Ivanov, S.A.; Aleksandrovskii, V.V.; Kaleva, G.M.; Politova, E.D.; Eriksson, S.","Specific features of the structure and weight loss of aliovalent-substituted oxides based on lanthanum gallate (La, Sr) (Ga, Fe, Mg) O(3-y)","Kristallografiya","2006","51","","241","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528597","7.8106","","5.585","","5.5097","","90","","90.37","","90","","240.34","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(La0.89 Sr0.11) (Ga0.56 Mg0.24 Fe0.20) O2.80","","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -","- Fe0.8 Ga2.24 La3.56 Mg0.96 O11.2 Sr0.44 -","4","0.5","","Ivanov, S.A.; Kaleva, G.M.; Eriksson, S.; Aleksandrovskii, V.V.; Politova, E.D.","Specific features of the structure and weight loss of aliovalent-substituted oxides based on lanthanum gallate (La, Sr) (Ga, Fe, Mg) O(3-y)","Kristallografiya","2006","51","","241","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528604","12.6681","","12.6681","","12.6681","","90","","90","","90","","2032.99","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pd13 Te3 -","- Pd13 Te3 -","- Pd104 Te24 -","8","0.0416667","","Janetzky, M.; Harbrecht, B.","Crystal growth, structure and properties of the palladium-rich telluride Pd13 Te3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","837","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528645","7.8074","","7.8158","","7.8977","","90","","90.136","","90","","481.925","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na La Mg W O6","","- La Mg Na O6 W -","- La Mg Na O6 W -","- La4 Mg4 Na4 O24 W4 -","4","0.5","","Knapp, M.C.; Woodward, P.M.","A-site cation ordering in A A' B B' O6 perovskites","Journal of Solid State Chemistry","2006","179","","1076","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528658","9.657","","11.934","","13.868","","90","","104.14","","90","","1549.82","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Bi8 (Cr O4) O11","","- Bi8 Cr O15 -","- Bi8 Cr O15 -","- Bi32 Cr4 O60 -","4","1","","Kumada, N.; Takei, T.; Kinomura, N.; Wallez, G.","Preparation and crystal structure of a new bismuth chromate: Bi8 (Cr O4) O11","Journal of Solid State Chemistry","2006","179","","793","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528660","5.451","","5.5821","","7.7803","","90","","90","","90","","236.739","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Ca Mo O3 -","- Ca Mo O3 -","- Ca4 Mo4 O12 -","4","0.5","","de la Calle, C.; Alonso, J.A.; Garcia-Hernandez, M.; Pomjakushin, V.","Neutron diffraction study and magnetotransport properties of stoichiometric Ca Mo O3 perovskite prepared by a soft-chemistry route","Journal of Solid State Chemistry","2006","179","","1636","1641","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528664","3.846","","3.846","","11.5301","","90","","90","","90","","170.55","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ir Sr2 Gd Cu2 O8","","- Cu2 Gd Ir O8 Sr2 -","- Cu2 Gd Ir O8 Sr2 -","- Cu2 Gd Ir O8 Sr2 -","1","0.0625","","dos Santos-Garcia, A.J.; Aguirre, M.H.; Moran, E.; Saez-Puche, R.; Alario-Franco, M.A.","A novel ferrimagnetic irido-cuprate: Ir Sr2 Gd Cu2 O8","Journal of Solid State Chemistry","2006","179","","1296","1302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528665","9.071","","11.813","","13.659","","90","","101.41","","90","","1434.71","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Sr (Pb Cl3)2 (H2 O)5","","- Cl6 H10 O5 Pb2 Sr -","- Cl6 H10 O5 Pb2 Sr -","- Cl24 H40 O20 Pb8 Sr4 -","4","0.5","","Abraham, I.; Benoit, D.M.; Demetriou, D.Z.; Mustarde, K.; Vordemvenne, E.","Lone pair effects in trihalo-stannate and -plumbate anions in the crystal structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X = Br)","Polyhedron","2006","25","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528666","5.59656","","5.58147","","20.5643","","90","","90.007","","90","","642.368","","","","","","","","","","","","","5","P -1","-P 1","2","","Pr2 Ba Li Ru O7","","- Ba Li O7 Pr2 Ru -","- Ba0.5 Li0.5 O3.5 Pr Ru0.5 -","- Ba2 Li2 O14 Pr4 Ru2 -","4","2","","Battle, P.D.; Grey, C.P.; Rodgers, J.A.; Sloan, J.","Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)","Solid State Sciences","2006","8","","280","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528667","5.5957","","5.5894","","20.8326","","90","","89.984","","90","","651.573","","","","","","","","","","","","","5","P -1","-P 1","2","","La2 Ba Li Ru O7","","- Ba La2 Li O7 Ru -","- Ba0.5 La Li0.4995 O3.5 Ru0.5005 -","- Ba2 La4 Li1.998 O14 Ru2.002 -","4","2","","Battle, P.D.; Grey, C.P.; Rodgers, J.A.; Sloan, J.","Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)","Solid State Sciences","2006","8","","280","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528670","4.2775","","4.2775","","9.3653","","90","","90","","120","","148.399","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Li Zn Ge","","- Ge Li Zn -","- Ge Li Zn -","- Ge3 Li3 Zn3 -","3","0.25","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528671","7.555","","7.555","","24.449","","90","","90","","120","","1208.54","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li8 Zn2 Ge3","","- Ge3 Li8 Zn2 -","- Ge3 Li8 Zn2 -","- Ge18 Li48 Zn12 -","6","0.333333","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","151201","2020-10-21","18:00:00",""
"1528672","6.1136","","6.1136","","6.1136","","90","","90","","90","","228.503","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Li2 Zn Ge","","- Ge Li2 Zn -","- Ge Li2 Zn -","- Ge4 Li8 Zn4 -","4","0.0416667","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528679","5.556","","3.7627","","7.056","","90","","101.36","","90","","144.62","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al4 Ca2 O8 -","2","0.5","","Lazic, B.; Kahlenberg, V.; Konzett, J.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528680","8.92004","","10.3155","","2.87129","","90","","90","","90","","264.201","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al8 Ca4 O16 -","4","0.5","","Lazic, B.; Konzett, J.; Kahlenberg, V.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528681","6.9801","","13.389","","14.2348","","90","","90","","90","","1330.33","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K6 (V O)2 (V2 O3)2 (P O4)4 (P2 O7)","","- K6 O31 P6 V6 -","- K6 O31 P6 V6 -","- K12 O62 P12 V12 -","2","0.25","","Leclaire, A.; Raveau, B.","The actual structure of K6 (V O)2 (V2 O3)2 (P O4)4 (P2 O7): Ordered distribution of P2 O7 groups and charge ordering of vanadium","Journal of Solid State Chemistry","2006","179","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","151224","2020-10-21","18:00:00",""
"1528682","31.721","","12.931","","12.905","","90","","90","","90","","5293.43","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Pb (Pb O) Br (Mo O)2 (P O4)3","","- Br Mo2 O15 P3 Pb2 -","- Br Mo2 O15 P3 Pb2 -","- Br16 Mo32 O240 P48 Pb32 -","16","1","","Leclaire, A.","A novel Mo(V) monophosphate with bromine and mixed valent lead and a Pb=O double bond: Pb(2+) (Pb(4+) O) Br (Mo(5+) O)2 (P O4)3","Solid State Sciences","2006","8","","660","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528683","8.8977","","9.9956","","24.212","","90","","97.816","","90","","2133.36","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cd5 Mo2 (P2 O7)4","","- Cd5 Mo2 O28 P8 -","- Cd5 Mo2 O28 P8 -","- Cd20 Mo8 O112 P32 -","4","0.5","","Leclaire, A.; Raveau, B.","A new Mo(III) cadmium diphosphate Cd5 Mo2 (P2 O7)4","Solid State Sciences","2006","8","","332","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","151226","2020-10-21","18:00:00",""
"1528684","18.7555","","22.5419","","23.7793","","112.543","","96.996","","104.136","","8739.82","","","","","","","","","","","","","5","P -1","-P 1","2","","K13 Li3 (K2 Li2 H8 Si4 W36 O130) (H2 O)49.75","","- K12 Li O179.75 Si4 W36 -","- K12 Li O179.75 Si4 W36 -","- K24 Li2 O359.5 Si8 W72 -","2","1","","Leclerc-Laronze, N.; Marrot, J.; Haouas, M.; Taulelle, F.; Herve, G.","Step-by-step assembly of trivacant tungstosilicates: synthesis and characterization of tetrameric anions","Angewandte Chemie (Edition international)","2006","45","","139","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528689","5.09227","","5.09227","","14.04","","90","","90","","120","","315.298","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Zn0.333 Mn0.37 Mg0.3) Ti O3","","- Mg0.3 Mn0.37 O3 Ti Zn0.333 -","- Mg0.3 Mn0.37 O3 Ti Zn0.33 -","- Mg1.8 Mn2.22 O18 Ti6 Zn1.98 -","6","0.333333","","Liferovich, R.P.; Mitchell, R.H.","Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study","Kristallografiya","2006","51","","417","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528690","5.06683","","5.06683","","13.9224","","90","","90","","120","","309.54","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Zn0.54 Mg0.46) Ti O3","","- Mg0.46 O3 Ti Zn0.54 -","- Mg0.46 O3 Ti Zn0.54 -","- Mg2.76 O18 Ti6 Zn3.24 -","6","0.333333","","Liferovich, R.P.; Mitchell, R.H.","Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study","Kristallografiya","2006","51","","417","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528691","7.6547","","7.6547","","15.3542","","90","","90","","90","","899.671","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr0.75 Y0.25 Co0.75 Ga0.25 O2.625","","- Co0.75 Ga0.25 O2.625 Sr0.75 Y0.25 -","- Co0.761 Ga0.239 O2.625 Sr0.75 Y0.25 -","- Co12.176 Ga3.824 O42 Sr12 Y4 -","16","0.5","","Lindberg, F.; Svedlindh, P.; Istomin, S.Ya.; Drozhzhin, O.A.; Svensson, G.; Mellergard, A.; Kaynak, F.B.; Warnicke, P.; Wannberg, A.; Antipov, E.V.","Synthesis and characterization of Sr0.75 Y0.25 Co(1-x) M(x) O(2.625+delta)","Journal of Solid State Chemistry","2006","179","","1434","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","151268","2020-10-21","18:00:00",""
"1528692","7.6819","","7.6819","","15.3822","","90","","90","","90","","907.728","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr0.75 Y0.25 Co0.5 Fe0.5 O2.7","","- Co0.5 Fe0.5 O2.7 Sr0.75 Y0.25 -","- Co0.4905 Fe0.5095 O2.7 Sr0.75 Y0.25 -","- Co7.848 Fe8.152 O43.2 Sr12 Y4 -","16","0.5","","Lindberg, F.; Drozhzhin, O.A.; Warnicke, P.; Kaynak, F.B.; Istomin, S.Ya.; Svensson, G.; Svedlindh, P.; Wannberg, A.; Mellergard, A.; Antipov, E.V.","Synthesis and characterization of Sr0.75 Y0.25 Co(1-x) M(x) O(2.625+delta)","Journal of Solid State Chemistry","2006","179","","1434","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","151269","2020-10-21","18:00:00",""
"1528697","8.108","","4.944","","9.17","","90","","90","","90","","367.588","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Si","","- Ca Si Sr -","- Ca Si Sr -","- Ca4 Si4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528698","8.124","","4.949","","9.184","","90","","90","","90","","369.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Ge","","- Ca Ge Sr -","- Ca Ge Sr -","- Ca4 Ge4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528699","8.421","","5.168","","9.685","","90","","90","","90","","421.489","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Sn","","- Ca Sn Sr -","- Ca Sn Sr -","- Ca4 Sn4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528700","8.509","","5.189","","9.74","","90","","90","","90","","430.052","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Pb","","- Ca Pb Sr -","- Ca Pb Sr -","- Ca4 Pb4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528721","7.13952","","7.13952","","7.13952","","90","","90","","90","","363.921","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo0.5 W1.5 O9","","- La2 Mo0.5 O9 W1.5 -","- La2 Mo0.5 O8.84 W1.5 -","- La4 Mo O17.68 W3 -","2","0.166667","","Marrero-Lopez, D.; Canales-Vazquez, J.; Irvine, J.T.S.; Zhou Wuzong; Nunez, P.","Structural studies on W(6+) and Nd(3+) substituted La2 Mo2 O9 materials","Journal of Solid State Chemistry","2006","179","","278","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","151324","2020-10-21","18:00:00",""
"1528730","5.533997","","5.49983","","16.55071","","90","","90","","90","","503.738","","","","","","","","","","","","","3","B 2 c b","B -2ab 2","41","","Bi2 (W O6)","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528731","8.37422","","3.854296","","16.44044","","90","","102.334","","90","","518.396","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Bi2 W O6","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","0.5","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528744","10.2145","","10.2145","","10.2145","","90","","90","","90","","1065.74","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl2 Ru2 O7","","- O7 Ru2 Tl2 -","- O7 Ru2 Tl2 -","- O56 Ru16 Tl16 -","8","0.0416667","","Mori, D.; Sonoyama, N.; Yamada, A; Kanno, R.; Azuma, M.; Suda, K.; Takano, M.; Ishizawa, N.","Single-crystal growth of Tl2 Ru2 O7 pyrochlore using high-pressure and flux methode","Journal of Solid State Chemistry","2006","179","","935","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","151372","2020-10-21","18:00:00",""
"1528746","3.956","","3.956","","8.659","","90","","90","","90","","135.513","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr Cu F S","","- Cu F S Sr -","- Cu F S Sr -","- Cu2 F2 S2 Sr2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Kamiya, T.; Hirano, M.; Hosono, H.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528747","3.949","","3.949","","8.642","","90","","90","","90","","134.769","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Eu Cu F S","","- Cu Eu F S -","- Cu Eu F S -","- Cu2 Eu2 F2 S2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Kamiya, T.; Hirano, M.; Hosono, H.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528748","4.063","","4.063","","8.842","","90","","90","","90","","145.963","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr Cu F Se","","- Cu F Se Sr -","- Cu F Se Sr -","- Cu2 F2 Se2 Sr2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Hosono, H.; Kamiya, T.; Hirano, M.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528749","4.057","","4.057","","8.815","","90","","90","","90","","145.088","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Eu Cu F Se","","- Cu Eu F Se -","- Cu Eu F Se -","- Cu2 Eu2 F2 Se2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Kamiya, T.; Hosono, H.; Hirano, M.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528762","3.7039","","3.7039","","12.0883","","90","","90","","90","","165.838","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","D Nd Ti O4","","- D Nd O4 Ti -","- D Nd O4 Ti -","- D2 Nd2 O8 Ti2 -","2","0.125","","Nishimoto, S.; Ishigaki, T.; Harjo, S.; Matsuda, M.; Kamiyama, T.; Hoshikawa, A.; Miyake, M.","Structural change in a series of protonated layered perovskite compounds, H Ln Ti O4 (Ln = La, Nd and Y)","Journal of Solid State Chemistry","2006","179","","1892","1897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528763","11.46","","5.292","","5.3628","","90","","90.441","","90","","325.224","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D Y (Ti O4)","","- D O4 Ti Y -","- D0.999 O4 Ti Y -","- D3.996 O16 Ti4 Y4 -","4","1","","Nishimoto, S.; Hoshikawa, A.; Harjo, S.; Matsuda, M.; Kamiyama, T.; Ishigaki, T.; Miyake, M.","Structural change in a series of protonated layered perovskite compounds, H Ln Ti O4 (Ln= La, Nd and Y)","Journal of Solid State Chemistry","2006","179","","1892","1897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528764","4.3251","","4.3251","","5.3376","","90","","90","","120","","86.471","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Sn0.51 Sb0.49)","","- Sb0.49 Sn0.51 -","- Sb0.49 Sn0.51 -","- Sb1.47 Sn1.53 -","3","0.0833333","","Noren, L.; Schmid, S.; Withers, R.L.; Brink, F.J.; Ting, V.","Old friends in a new light: ""Sb Sn"" revisited","Journal of Solid State Chemistry","2006","179","","404","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","151416","2020-10-21","18:00:00",""
"1528769","5.7931","","5.7931","","11.16383","","90","","90","","90","","374.658","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cu0.97 Cd0.06 In0.97 Se2","","- Cd0.06 Cu0.97 In0.97 Se2 -","- Cd0.043 Cu0.977 In0.98 Se2 -","- Cd0.172 Cu3.908 In3.92 Se8 -","4","0.25","","Olekseyuk, I.D.; Parasyuk, O.V.; Piskach, L.V.; Dzham, O.A.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","151429","2020-10-21","18:00:00",""
"1528770","5.8678","","5.8678","","5.8678","","90","","90","","90","","202.035","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu1.5 Cd In1.5 Se4","","- Cd Cu1.5 In1.5 Se4 -","- Cd Cu1.5 In1.5 Se4 -","- Cd Cu1.5 In1.5 Se4 -","1","0.0104167","","Olekseyuk, I.D.; Dzham, O.A.; Parasyuk, O.V.; Piskach, L.V.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528771","5.9598","","5.9598","","5.9598","","90","","90","","90","","211.687","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu0.93 Cd2.15 In0.93 Se4","","- Cd2.15 Cu0.93 In0.93 Se4 -","- Cd2.152 Cu0.908 In0.904 Se4 -","- Cd2.152 Cu0.908 In0.904 Se4 -","1","0.0104167","","Olekseyuk, I.D.; Dzham, O.A.; Parasyuk, O.V.; Piskach, L.V.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","151431","2020-10-21","18:00:00",""
"1528772","4.2613","","4.2613","","69.59","","90","","90","","120","","1094.36","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Cu0.09 Cd0.82 In0.09 Se","","- Cd0.82 Cu0.09 In0.09 Se -","- Cd0.798 Cu0.095 In0.102 Se -","- Cd1.596 Cu0.19 In0.204 Se2 -","2","0.166667","","Olekseyuk, I.D.; Parasyuk, O.V.; Dzham, O.A.; Piskach, L.V.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528778","12.1904","","3.7485","","5.5296","","90","","107.039","","90","","241.588","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Ouhenia, S.; Belkhir, M.A.; Samah, M.","Structure of beta - Ti O2","Private Communication","2006","1","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528799","8.545","","11.447","","13.313","","90","","90.1","","90","","1302.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((C H3)2 N H2)2 (Co Cl4)","","- C4 H16 Cl4 Co N2 -","- C4 Cl4 Co N2 -","- C16 Cl16 Co4 N8 -","4","1","","Pietraszko, A.; Sheleg, A.U.; Kirpichnikova, L.F.; Yachkovsky, A.Y.","Structural study of [(C H3)2 N H2]2 Co Cl4 single crystals at room temperature","Kristallografiya","2006","51","","41","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528809","14.134","","14.134","","30.178","","90","","90","","120","","5220.97","","","","","","","","","","","","","13","R 3 :H","R 3","146","","Na13.56 K0.18 Ca2.4 Mn3.51 Fe1.2 Ce0.57 Zr3 Ti0.06 Nb0.43 Si0.46 O2.07 (O H).49 Cl0.35 (H2 O)1.2","","- Ca2.4 Ce0.57 Cl0.35 Fe1.2 H2.89 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -","- Ca2.4 Ce0.57 Cl0.35 Fe1.2 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -","- Ca7.2 Ce1.71 Cl1.05 Fe3.6 K0.54 Mn10.53 Na40.68 Nb1.29 O11.28 Si1.38 Ti0.18 Zr9 -","3","0.333333","","Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V.","Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte","Kristallografiya","2006","51","","235","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528810","14.192","","14.192","","30.17","","90","","90","","120","","5262.51","","","","","","","","","","","","","16","R 3 :H","R 3","146","","Na15.66 K0.21 Ca3 Sr0.36 Y0.09 Mn1.44 Fe1.44 Ce0.33 Zr3.54 Ti0.21 Nb0.27 Si0.9 O2.34 (O H).90 Cl0.53 F0.66 (H2 O)0.86","","- Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 H2.62 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -","- Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -","- Ca9 Ce0.99 Cl1.59 F1.98 Fe4.32 K0.63 Mn4.32 Na46.98 Nb0.81 O12.3 Si2.7 Sr1.08 Ti0.63 Y0.27 Zr10.62 -","3","0.333333","","Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V.","Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte","Kristallografiya","2006","51","","235","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528814","5.6201","","5.6343","","7.9375","","90","","89.99","","90","","251.344","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 Fe Ta O6","","- Fe O6 Sr2 Ta -","- Fe O6 Sr2 Ta -","- Fe2 O12 Sr4 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Chen, J.M.; Liu, R.S.; Karppinen, M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528815","5.6199","","5.6416","","7.9365","","90","","89.98","","90","","251.629","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sr0.9 La0.1)2 Fe Ta O6","","- Fe La0.2 O6 Sr1.8 Ta -","- Fe La0.2 O6 Sr1.8 Ta -","- Fe2 La0.4 O12 Sr3.6 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Karppinen, M.; Liu, R.S.; Chen, J.M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528816","5.6206","","5.6445","","7.9381","","90","","89.97","","90","","251.84","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sr0.8 La0.2)2 Fe Ta O6","","- Fe La0.4 O6 Sr1.6 Ta -","- Fe La0.4 O6 Sr1.6 Ta -","- Fe2 La0.8 O12 Sr3.2 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Liu, R.S.; Chen, J.M.; Karppinen, M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528817","5.6235","","5.6448","","7.936","","90","","89.98","","90","","251.917","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sr0.7 La0.3)2 Fe Ta O6","","- Fe La0.6 O6 Sr1.4 Ta -","- Fe La0.6 O6 Sr1.4 Ta -","- Fe2 La1.2 O12 Sr2.8 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Liu, R.S.; Chen, J.M.; Karppinen, M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528819","9.2737","","2.8215","","11.1701","","90","","90","","90","","292.274","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Ru2 O4","","- Na O4 Ru2 -","- Na O4 Ru2 -","- Na4 O16 Ru8 -","4","0.5","","Regan, K.A.; Ramirez, A.P.; Huang, Q.; Lee, M.; Cava, J.R.","Structure and magnetism of Na Ru2 O4 and Na2.7 Ru4 O9","Journal of Solid State Chemistry","2006","179","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528820","23.246","","2.8411","","11.0394","","90","","104.766","","90","","705.01","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2.73 Ru4 O9","","- Na2.73 O9 Ru4 -","- Na2.73 O9 Ru4 -","- Na10.92 O36 Ru16 -","4","0.5","","Regan, K.A.; Lee, M.; Huang, Q.; Ramirez, A.P.; Cava, J.R.","Structure and magnetism of Na Ru2 O4 and Na2.7 Ru4 O9","Journal of Solid State Chemistry","2006","179","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","151534","2020-10-21","18:00:00",""
"1528846","9.6835","","7.7359","","7.9564","","90","","95.94","","90","","592.818","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2 (Cr F5) (H2 O)","","- Cr F5 H2 K2 O -","- Cr F5 H2 K2 O -","- Cr4 F20 H8 K8 O4 -","4","0.5","","Sassoye, C.; de Kozak, A.","Crystal structure and thermal behaviour of K2 [Cr F5 . H2 O]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","445","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528859","5.7827","","5.7827","","14.2509","","90","","90","","120","","412.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Zr Ru2 O9","","- Ba3 O9 Ru2 Zr -","- Ba3 O9 Ru2 Zr -","- Ba6 O18 Ru4 Zr2 -","2","0.0833333","","Schuepp-Niewa, B.; Prots', Yu.; Shlyk, L.; Niewa, R.; Krabbes, G.","Crystal structure of Ba3 Zr Ru2 O9 - a new 6H-(cch)2 perovskite","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","572","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528872","5.7155","","5.7155","","13.951","","90","","90","","120","","394.679","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba2 (Cr Mo O6)","","- Ba2 Cr Mo O6 -","- Ba2 Cr1.00667 Mo0.993333 O6 -","- Ba6 Cr3.02 Mo2.98 O18 -","3","0.125","","Sher, F.; Attfield, J.P.","Synthesis, structure and magnetic properties of Ba2 Cr Mo O6","Solid State Sciences","2006","8","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528881","12.745","","12.745","","5.18","","90","","90","","120","","728.685","","","","","","","","","","","","","7","P 63","P 6c","173","","(Na0.5 Ca0.5)2 Na6 (Al6 Si6 O24) (B O3) (H2 O)2","","- Al6 B Ca H4 Na7 O29 Si6 -","- Al6 B Ca H4.0002 Na7 O28.9998 Si6 -","- Al6 B Ca H4.0002 Na7 O28.9998 Si6 -","1","0.166667","","Shirinova, A.F.; Samedov, H.R.; Khrustalev, V.N.; Chiragov, M.I.","Hydrothermal synthesis and the crystal structure of borate cancrinite (Na, Ca) (Na6 (Al Si O4)6) (B O3) . 2H2 O","Kristallografiya","2006","51","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528889","6.174","","10.75","","11.852","","90","","90.51","","90","","786.592","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Na3 Fe O3","","- Fe Na3 O3 -","- Fe Na3 O3 -","- Fe8 Na24 O24 -","8","2","","Sofin, M.; Jansen, M.","Synthesis, crystal structure and magnetic properties of beta-Na3 Fe O3","Solid State Sciences","2006","8","","19","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528892","8.205","","10.506","","4.146","","90","","109.58","","90","","336.726","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(N H4)2 C4 O4","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C8 H16 N4 O8 -","2","0.25","","Stein, I.; Naether, C.; Ruschewitz, U.","(N H4)2 (C4 O4), an anhydrous alt of acetylenedicarboxylic acid","Solid State Sciences","2006","8","","353","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","151687","2020-10-21","18:00:00",""
"1528919","9.602","","9.602","","9.602","","90","","90","","90","","885.289","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ce3 Co4 Sn13 -","- Ce3 Co4 Sn13 -","- Ce6 Co8 Sn26 -","2","0.0416667","","Thomas, E.L.; Lee Han-Oh; Bankston, A.N.; MaQuilon, S.; Moldovan, M.; Klavins, P.; Young, D.P.; Fisk, Z.; Chan, J.Y.","Crystal growth, transport, and magnetic properties of Ln3 Co4 Sn13 (Ln = La, Ce) with a perovskite-like structure","Journal of Solid State Chemistry","2006","179","","1642","1649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528920","9.643","","9.643","","9.643","","90","","90","","90","","896.678","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","La3 Co4 Sn13","","- Co4 La3 Sn13 -","- Co4 La3 Sn13 -","- Co8 La6 Sn26 -","2","0.0416667","","Thomas, E.L.; Bankston, A.N.; Lee Han-Oh; Klavins, P.; MaQuilon, S.; Moldovan, M.; Fisk, Z.; Young, D.P.; Chan, J.Y.","Crystal growth, transport, and magnetic properties of Ln3 Co4 Sn13 (Ln = La, Ce) with a perovskite-like structure","Journal of Solid State Chemistry","2006","179","","1642","1649","","","","","","","","","","","","","","","","","","","","","","has coordinates","151766","2020-10-21","18:00:00",""
"1528927","8.2819","","8.2819","","8.2819","","90","","90","","90","","568.054","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 In Nb O6 -","- Ba2 In Nb O6 -","- Ba8 In4 Nb4 O24 -","4","0.0208333","","Ting, V.; Liu, Y.; James, M.; Noren, L.; Withers, R.L.; Fitz Gerald, J.D.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528928","5.7351","","5.7416","","8.1102","","90","","89.995","","90","","267.058","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 In Nb O6","","- In Nb O6 Sr2 -","- In Nb O6 Sr2 -","- In2 Nb2 O12 Sr4 -","2","0.5","","Ting, V.; Liu, Y.; Noren, L.; Withers, R.L.; James, M.; Fitz Gerald, J.D.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528929","5.5292","","5.7068","","7.9216","","90","","89.9243","","90","","249.958","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 ((Ca0.08 In0.88 Nb0.04) Nb) O6","","- Ca2.08 In0.88 Nb1.04 O6 -","- Ca2.08 In0.88 Nb1.04 O6 -","- Ca4.16 In1.76 Nb2.08 O12 -","2","0.5","","Ting, V.; Liu, Y.; Withers, R.L.; Noren, L.; Fitz Gerald, J.D.; James, M.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528930","5.5477","","5.747","","7.9714","","90","","89.958","","90","","254.149","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 ((Ca0.5 In0.25 Nb0.25) Nb) O6","","- Ca2.5 In0.25 Nb1.25 O6 -","- Ca2.5 In0.25 Nb1.25 O6 -","- Ca5 In0.5 Nb2.5 O12 -","2","0.5","","Ting, V.; Liu, Y.; Fitz Gerald, J.D.; Withers, R.L.; Noren, L.; James, M.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528931","4.21038","","35.8075","","4.14023","","90","","90","","90","","624.194","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sm4 Ga5.24 Ge5.76","","- Ga5.24 Ge5.76 Sm4 -","- Ga5.24 Ge5.76 Sm4 -","- Ga10.48 Ge11.52 Sm8 -","2","0.125","","Tokaychuk, Y.O.; Filinchuk, Y.E.; Fedorchuk, A.O.; Kozlov, A.Yu.; Mokra, I.R.","New representatives of the linear structure series containing empty Ga/Ge cubes in the Sm-Ga-Ge system","Journal of Solid State Chemistry","2006","179","","1323","1329","","","","","","","","","","","","","","","","","","","","","","has coordinates","151783","2020-10-21","18:00:00",""
"1528934","4.279","","4.279","","8.737","","90","","90","","90","","159.973","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","U Sn0.52 Sb1.48","","- Sb1.48 Sn0.52 U -","- Sb1.48 Sn0.52 U -","- Sb2.96 Sn1.04 U2 -","2","0.125","","Tran, V.H.; Bukowski, Z.; Stepien-Damm, Yu.; Troc, R.","Antiferromagnetic ordering with an anisotropy reversal in U Sn0.5 Sb1.5","Journal of Solid State Chemistry","2006","179","","1401","1406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528954","3.9261","","3.6889","","20.6779","","90","","90","","90","","299.478","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Co2 O5.914","","- Co2 O5.914 Sr3 -","- Co2 O5.914 Sr3 -","- Co4 O11.828 Sr6 -","2","0.125","","Viciu, L.; Zandbergen, H.W.; Xu, Q.; Huang, Q.; Cava, R.J.; Lee, M.","Structure and magnetic properties of the orthorhombic n=2 Ruddlesden-Popper phases Sr3 Co2 O(5+delta) (delta=0.91, 0.64 and 0.38)","Journal of Solid State Chemistry","2006","179","","500","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","151826","2020-10-21","18:00:00",""
"1528955","3.9442","","3.6687","","20.681","","90","","90","","90","","299.256","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Co2 O5.64","","- Co2 O5.64 Sr3 -","- Co2 O5.64 Sr3 -","- Co4 O11.28 Sr6 -","2","0.125","","Viciu, L.; Cava, R.J.; Xu, Q.; Zandbergen, H.W.; Huang, Q.; Lee, M.","Structure and magnetic properties of the orthorhombic n=2 Ruddlesden-Popper phases Sr3 Co2 O(5+delta) (delta=0.91, 0.64 and 0.38)","Journal of Solid State Chemistry","2006","179","","500","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","151827","2020-10-21","18:00:00",""
"1528956","3.9721","","3.6753","","20.573","","90","","90","","90","","300.338","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Co2 O5.38","","- Co2 O5.38 Sr3 -","- Co2 O5.38 Sr3 -","- Co4 O10.76 Sr6 -","2","0.125","","Viciu, L.; Zandbergen, H.W.; Xu, Q.; Lee, M.; Huang, Q.; Cava, R.J.","Structure and magnetic properties of the orthorhombic n=2 Ruddlesden-Popper phases Sr3 Co2 O(5+delta) (delta=0.91, 0.64 and 0.38)","Journal of Solid State Chemistry","2006","179","","500","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","151828","2020-10-21","18:00:00",""
"1528977","2.9149","","2.9149","","24.092","","90","","90","","120","","177.276","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag2 Ni O2 -","- Ag2 Ni O2 -","- Ag6 Ni3 O6 -","3","0.0833333","","Wedig, U.; Nuss, J.; Adler, P.; Modrow, H.; Jansen, M.","Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver","Solid State Sciences","2006","8","","753","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528983","10.38175","","10.38175","","10.38175","","90","","90","","90","","1118.95","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Zr0.5 W1.5 O6","","- Cs O6 W1.5 Zr0.5 -","- Cs O6 W1.5 Zr0.5 -","- Cs8 O48 W12 Zr4 -","8","0.0416667","","Whittle, K.R.; Ashbrook, S.E.; Lumpkin, G.R.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528984","5.1462","","5.2082","","5.3155","","90","","99.249","","90","","140.616","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Zr O2","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Whittle, K.R.; Ashbrook, S.E.; Lumpkin, G.R.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528985","10.3403","","10.3403","","10.3403","","90","","90","","90","","1105.6","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ti0.25 Zr0.25 W1.5 O6","","- Cs O6 Ti0.25 W1.5 Zr0.25 -","- Cs O6 Ti0.25 W1.5 Zr0.25 -","- Cs8 O48 Ti2 W12 Zr2 -","8","0.0416667","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528986","10.2763","","10.2763","","10.2763","","90","","90","","90","","1085.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ti0.5 W1.5 O6","","- Cs O6 Ti0.5 W1.5 -","- Cs O6 Ti0.5 W1.5 -","- Cs8 O48 Ti4 W12 -","8","0.0416667","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528987","10.3671","","10.3671","","10.3671","","90","","90","","90","","1114.22","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Hf0.4 W1.6 O6","","- Cs Hf0.4 O6 W1.6 -","- Cs Hf0.4 O6 W1.6 -","- Cs8 Hf3.2 O48 W12.8 -","8","0.0416667","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528988","5.118","","5.1857","","5.2841","","90","","99.352","","90","","138.378","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Hf O2 -","- Hf O2 -","- Hf4 O8 -","4","1","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529005","12.0808","","5.60421","","7.12971","","90","","90","","90","","482.705","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Dy2 Cu O5","","- Cu Dy2 O5 Sr -","- Cu Dy2 O5 Sr -","- Cu4 Dy8 O20 Sr4 -","4","0.5","","Wong-Ng, W.; Yang, Z.; Haugan, T.; Kaduk, J.A.; Jang, M.H.; Young, R.A.; Luong, M.","Crystal chemistry and crystallography of the Sr R2 Cu O5 (R = lanthanides) phases","Journal of Solid State Chemistry","2006","179","","1588","1595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529006","12.03727","","5.58947","","7.10169","","90","","90","","90","","477.816","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Ho2 Cu O5","","- Cu Ho2 O5 Sr -","- Cu Ho2 O5 Sr -","- Cu4 Ho8 O20 Sr4 -","4","0.5","","Wong-Ng, W.; Haugan, T.; Yang, Z.; Young, R.A.; Kaduk, J.A.; Luong, M.; Jang, M.H.","Crystal chemistry and crystallography of the Sr R2 Cu O5 (R = lanthanides) phases","Journal of Solid State Chemistry","2006","179","","1588","1595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529009","6.5562","","6.5562","","11.286","","90","","90","","90","","485.115","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Li Ir Sn4","","- Ir Li Sn4 -","- Ir Li Sn4 -","- Ir4 Li4 Sn16 -","4","0.125","","Wu, Z.Y.; Hoffmann, R.D.; Poettgen, R.","Neutron diffraction and electrochemical studies on Li Ir Sn4","Journal of Solid State Chemistry","2006","179","","355","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529010","7.732","","11.571","","11.502","","90","","109.491","","90","","970.078","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Nd1.8 Er0.2) W3 O12","","- Er0.2 Nd1.8 O12 W3 -","- Er0.2 Nd1.8 O12 W3 -","- Er0.8 Nd7.2 O48 W12 -","4","0.5","","Wu, M.M.; Peng, J.; Yu, Z.X.; Wang, H.; Cheng, Y.Z.; Hu, Z.B.; Chen, D.F.","Structure and thermal expansion properties of solid solution Nd(2-x) Er(x) W3 O12 (0.0 <= x <= 0.6 and 1.5 <= x <= 2.0)","Solid State Sciences","2006","8","","665","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","151924","2020-10-21","18:00:00",""
"1529011","7.711","","11.537","","11.476","","90","","109.503","","90","","962.349","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Nd1.6 Er0.4) W3 O12","","- Er0.4 Nd1.6 O12 W3 -","- Er0.4 Nd1.6 O12 W3 -","- Er1.6 Nd6.4 O48 W12 -","4","0.5","","Wu, M.M.; Peng, J.; Cheng, Y.Z.; Yu, Z.X.; Wang, H.; Chen, D.F.; Hu, Z.B.","Structure and thermal expansion properties of solid solution Nd(2-x) Er(x) W3 O12 (0.0 <= x <= 0.6 and 1.5 <= x <= 2.0)","Solid State Sciences","2006","8","","665","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","151925","2020-10-21","18:00:00",""
"1529016","5.93","","5.93","","8.397","","90","","90","","90","","295.28","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Ca W O6","","- Ba2 Ca O6 W -","- Ba2 Ca O6 W -","- Ba4 Ca2 O12 W2 -","2","0.125","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529017","8.371","","8.371","","8.371","","90","","90","","90","","586.586","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Ca Re O6","","- Ba2 Ca O6 Re -","- Ba2 Ca O6 Re -","- Ba8 Ca4 O24 Re4 -","4","0.0208333","","Yamamura, Y.; Hinatsu, Y.; Wakeshima, M.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529018","5.8961","","5.8961","","8.375","","90","","90","","90","","291.148","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Ca Re O6","","- Ba2 Ca O6 Re -","- Ba2 Ca O6 Re -","- Ba4 Ca2 O12 Re2 -","2","0.125","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529019","8.359","","8.359","","8.359","","90","","90","","90","","584.067","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Ca Os O6","","- Ba2 Ca O6 Os -","- Ba2 Ca O6 Os -","- Ba8 Ca4 O24 Os4 -","4","0.0208333","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529020","6.906","","6.8329","","18.752","","90","","109.14","","90","","835.954","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca Y2 Ge3 O10","","- Ca Ge3 O10 Y2 -","- Ca Ge3 O10 Y2 -","- Ca4 Ge12 O40 Y8 -","4","1","","Yamane, H.; Tanimura, R.; Takahashi, J.; Yamada, T.; Shimada, M.; Kajiwara, T.","Synthesis and crystal structures of Ca Y2 Ge3 O10 and Ca Y2 Ge4 O12","Journal of Solid State Chemistry","2006","179","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529021","9.99282","","9.99282","","5.06701","","90","","90","","90","","505.974","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Ca Y2 Ge4 O12","","- Ca Ge4 O12 Y2 -","- Ca1.001 Ge4 O12 Y1.999 -","- Ca2.002 Ge8 O24 Y3.998 -","2","0.125","","Yamane, H.; Takahashi, J.; Tanimura, R.; Yamada, T.; Shimada, M.; Kajiwara, T.","Synthesis and crystal structures of Ca Y2 Ge3 O10 and Ca Y2 Ge4 O12","Journal of Solid State Chemistry","2006","179","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529026","10.086","","10.086","","10.086","","90","","90","","90","","1026.02","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","K Os2 O6","","- K O6 Os2 -","- K O6 Os2 -","- K8 O48 Os16 -","8","0.0416667","","Yamaura, J.-I.; Yonezawa, S.; Muraoka, Y.; Hiroi, Z.","Crystal structure of the pyrochlore oxide superconductor K Os2 O6","Journal of Solid State Chemistry","2006","179","","336","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529029","8.7876","","7.2981","","15.6325","","90","","90.266","","90","","1002.54","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Co (N H2 (C H2 P O3 H) (C H2 P O3)) (H2 O)2) (H2 O)","","- C2 H13 Co N O9 P2 -","- C2 H13 Co N O9 P2 -","- C8 H52 Co4 N4 O36 P8 -","4","1","","Yang, B.-P.; Prosvirin, A.V.; Zhao, H.-H.; Mao, J.-G.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529030","6.7478","","8.8651","","12.988","","90","","95.569","","90","","773.274","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","(Mn (N H2 (C H2 P O3 H) (C H2 P O3))) (H2 O)","","- C2 H9 Mn N O7 P2 -","- C2 H9 Mn N O7 P2 -","- C8 H36 Mn4 N4 O28 P8 -","4","1","","Yang, B.-P.; Prosvirin, A.V.; Mao, J.-G.; Zhao, H.-H.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529031","8.8185","","7.4031","","11.1679","","90","","97.991","","90","","722.008","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cu (N H (C H2 P O3 H)2)","","- C2 H7 Cu N O6 P2 -","- C2 H7 Cu N O6 P2 -","- C8 H28 Cu4 N4 O24 P8 -","4","1","","Yang, B.-P.; Zhao, H.-H.; Prosvirin, A.V.; Mao, J.-G.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529047","10.38775","","10.38775","","5.69198","","90","","90","","120","","531.909","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Y Ca3 (Al O)3 (B O3)4","","- Al3 B4 Ca3 O15 Y -","- Al3 B4 Ca2.999 O15 Y1.001 -","- Al6 B8 Ca5.998 O30 Y2.002 -","2","0.166667","","Yu, Y.; Wu, Q.S.; Li, R.K.","Structure of two new borates Y Ca3 (Al O)3 (B O3)4 and Y Ca3 (Ga O)3 (B O3)4","Journal of Solid State Chemistry","2006","179","","429","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529048","6.2847","","10.8944","","11.178","","90","","102.364","","90","","747.585","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Na2 (Cu V2 O2 (H2 O)2 (O3 P C H2 P O3)2)","","- C2 H4 Cu0.823 Na2 O16 P4 V2 -","- C2 H4 Cu0.823 Na2 O16 P4 V2 -","- C4 H8 Cu1.646 Na4 O32 P8 V4 -","2","0.5","","Yucesan, G.; Golub, V.; O'Connor, C.J.O.; Zubieta, J.","Hydrothermal synthesis and structure of a thee-dimensional trimetallic oxide, Na2 [Cu V2 O2 (H2 O)2 (O3 P C H2 P O3)2]","Inorganica Chimica Acta","2006","359","","1637","1642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529416","9.23676","0.00018","9.23676","0.00018","9.23676","0.00018","90","","90","","90","","788.06","0.03","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F5 H12 N3 O2 Ti -","- F4.99758 H12.0019 N3.00048 O2.0004 Ti -","- F19.9903 H48.0077 N12.0019 O8.0016 Ti4 -","4","0.0208333","","I.N. Flerov; M.V. Gorev; V.D. Fokina; M.S. Molokeev; A.D. Vasiliev; A.F. Bovina; N.M. Laptash","Heat capacity, structural disorder, and the phase transition in cryolite (NH4)3Ti(O2)F5","Physics of the Solid State","2006","48","8","1559","1567","10.1134/S1063783406080221","powder diffraction","","","X-ray","","","","","","","","","5.8644","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534566","9.5294","","9.5294","","6.1262","","90","","90","","120","","481.785","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","Ba Sm5 (Si9 Al3 N20) O","","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","1","0.166667","","Lieb, A.; Schnick, W.","Ba Sm5 [Si9 Al3 N20] O - a nitridoaluminosilicate oxide with a new structure type composed of star-shaped [N(4) ((Si,Al) N3)4] units as secondary building units","Solid State Sciences","2006","8","","185","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534569","10.5973","","11.1687","","11.6179","","90","","90","","90","","1375.07","","","","","","","","","","","","","6","P b a m","-P 2 2ab","55","","Pr10 (Si9 Al O9.96 N16.04) Cl0.96","","- Al Cl0.96 N16.04 O9.96 Pr10 Si9 -","- Al Cl0.96 N16.04 O9.96 Pr10 Si9 -","- Al2 Cl1.92 N32.08 O19.92 Pr20 Si18 -","2","0.25","","Lieb, A.; Lauterbach, R.; Schnick, W.","Pr10 [Si(10-x) Al(x) O(9+x) N(17-x)] Cl with x= 1 - an oxonitridoalumosilicate chloride","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534580","5.0709","","5.0709","","7.7446","","90","","90","","120","","172.465","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mg Co6 Ge6","","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","1","0.0416667","","Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P.","Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6","Chemistry - A European Journal","2006","12","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535003","7.642","","9.66","","10.771","","89.37","","86.72","","81.89","","785.889","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (C H3)4) B9 Cl2.73 H11.27","","- C4 H23.27 B9 Cl2.73 N -","- C4 H23 B9 Cl2.727 N -","- C8 H46 B18 Cl5.454 N2 -","2","1","","Hamilton, E.J.M.; Liu, J.; Meyers, E.A.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535006","9.729","","10.682","","14","","90","","96.91","","90","","1444.38","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4) B9 Cl H13","","- C4 H25 B9 Cl N -","- C4 H25 B9 Cl N -","- C16 H100 B36 Cl4 N4 -","4","1","","Hamilton, E.J.M.; Meyers, E.A.; Liu, J.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535015","11.851","","10.41","","13.721","","90","","92.75","","90","","1690.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Li (N H3)4)2 As4","","- As4 H24 Li2 N8 -","- As4 H24 Li2 N8 -","- As16 H96 Li8 N32 -","4","1","","Hanauer, T.; Kraus, F.; Reil, M.; Korber, N.","Isolated cyclo-tetraarsendiide anions: synthesis and crystal structures of bis(tetraamminelithium) tetraarsenide [Li (N H3)4]2 As4, bis(pentaamminesodium) tetraarsenide - ammonia (1/3) [Na (N H3)5]2 As4 * 3(N H3) and bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo [8.8.8]hexacosan)(cesium, rubidium)] tetraarsenide - ammonia (1/2) [Cs0.35 Rb0.65 (2,2,2-crypt)]2 As4 * 2(N H3)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2006","137","","147","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535221","6.8742","","6.9305","","17.5753","","87.902","","87.648","","78.942","","820.725","","","","","","","","","","","","","5","P -1","-P 1","2","","Na Mg3 Al Mo5 O20","","- Al Mg3 Mo5 Na O20 -","- Al Mg3 Mo5 Na O20 -","- Al2 Mg6 Mo10 Na2 O40 -","2","1","","Hermanowicz, K.; Maczka, M.; Wolcyrz, M.; Tomaszewski, P.E.","Crystal structure, vibrational properties and luminescence of Na Mg3 Al(Mo O4)5 crystals doped with Cr(3+) ions","Journal of Solid State Chemistry","2006","179","","685","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535543","3.913508","","3.913508","","24.21111","","90","","90","","90","","370.806","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Nb3 O5 F5","","- F5 Nb3 O5 -","- F5 Nb3 O5 -","- F10 Nb6 O10 -","2","0.0625","","Brink, F.J.; Withers, R.L.; Poulain, M.; Cordier, S.","An electron diffraction and bond valence sum investigation of oxygen/fluorine ordering in Nb(n) O(2n-1) F(n+2), n = 3","Journal of Solid State Chemistry","2006","179","","341","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","162950","2020-10-21","18:00:00",""
"1536227","7.9081","","14.0248","","9.991","","90","","90.327","","90","","1108.08","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pb (B8 O11 (O H)4)","","- B8 H4 O15 Pb -","- B8 H4 O15 Pb -","- B32 H16 O60 Pb4 -","4","1","","Wang, G.-M.; Sun, Y.-Q; Yang, G.-Y.","Synthesis and characterization of a new layered lead borate","Journal of Solid State Chemistry","2006","179","","398","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536262","25.6135","","25.6135","","25.6135","","90","","90","","90","","16803.8","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sc24 C10 I30","","- C10 I30 Sc24 -","- C10 I30 Sc24 -","- C80 I240 Sc192 -","8","0.333333","","Jongen, L.; Mudring, A.V.; Meyer, G.","The molecular solid Sc24 C10 I30: a truncated, hollow T4 supertetrahedron of iodine filled with a T3 supertetrahedron of scandium that encapsulates the adamantoid cluster Sc4 C10","Angew. Chem. Int. ed.","2006","45","","1886","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","163913","2020-10-21","18:00:00",""
"1536422","10.22992","","10.22992","","10.22992","","90","","90","","90","","1070.57","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ba P2 N4","","- Ba N4 P2 -","- Ba N4 P2 -","- Ba12 N48 P24 -","12","0.5","","Karau, F.W.; Schnick, W.","High-pressure synthesis, x-ray powder structure determination, and solid-state NMR investigation of Ba P2 N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","231","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537031","42.0671","","11.2166","","18.5081","","90","","100.15","","90","","8596.37","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K3 In (P O4)2","","- In K3 O8 P2 -","- In K3 O8 P2 -","- In40 K120 O320 P80 -","40","5","","Zhang, Y.; Cheng, W.; Wu, D.; Gong, Y.; Zhang, H.; Chen, D.; Kan, Z.; Zhu, J.","Crystal structures of alkali-metal indium (III) phosphates of [M3 In (P O4)2]n (M = K, n = 10; M = Rb, n = 2) compounds, and band structures and chemical bond properties of [Rb3 In (P O4)2]2 crystal","Journal of Solid State Chemistry","2006","179","","186","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537035","9.9827","","11.6358","","15.9307","","90","","90.27","","90","","1850.44","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Rb3 In (P O4)2)2","","- In2 O16 P4 Rb6 -","- In2 O16 P4 Rb6 -","- In8 O64 P16 Rb24 -","4","1","","Zhang, Y.; Cheng, W.; Wu, D.; Zhang, H.; Chen, D.; Gong, Y.; Zhu, J.; Kan, Z.","Crystal structures of alkali-metal indium (III) phosphates of [M3 In (P O4)2]n (M = K, n = 10; M = Rb, n = 2) compounds, and band structures and chemical bond properties of [Rb3 In (P O4)2]2 crystal","Journal of Solid State Chemistry","2006","179","","186","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537085","8.749","","8.749","","19.554","","90","","90","","90","","1496.76","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Cs3 Se22 -","- Cs3 Se22 -","- Cs6 Se44 -","2","0.125","","Kromm, A.; Sheldrick, W.S.","Cs3 Se22: a selenium-rich cesium polyselenide containing Se8 crowns and (Se6(3-)) anions with radical character","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537237","14.1477","","14.1477","","14.1477","","90","","90","","90","","2831.77","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Mn (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mn2 Mo6 N2 O31 Te -","- H20 Mn2 Mo6 N2 O31 Te -","- H80 Mn8 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Zhang Chundan; Cheng Haiyan; Sun Chunyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537238","12.513","","9.8","","10.445","","90","","90","","90","","1280.84","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu0.73 Sn1.27 P14","","- Cu0.73 P14 Sn1.27 -","- Cu0.728 P14 Sn1.272 -","- Cu2.912 P56 Sn5.088 -","4","0.5","","Lange, S.; Sebastian, C.P.; Nilges, T.","A new preparative approach to Hg Pb P14 structure type materials: crystal structure of Cu0.73 Sn1.27 P14 and characterization of M(1-x) Sn(1+x) P14 (M = Cu, Ag) and Ag Sb P14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","195","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","165278","2020-10-21","18:00:00",""
"1537240","14.0513","","14.0513","","14.0513","","90","","90","","90","","2774.27","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Co (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- Co2 H22 Mo6 N2 O31 Te -","- Co2 H20 Mo6 N2 O31 Te -","- Co8 H80 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Cheng Haiyan; Zhang Chundan; Xie Linhua; Sun Chunyan; Yu Miao","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537243","13.9743","","13.9743","","13.9743","","90","","90","","90","","2728.92","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Ni (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mo6 N2 Ni2 O31 Te -","- H20 Mo6 N2 Ni2 O31 Te -","- H80 Mo24 N8 Ni8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Sun Chunyan; Zhang Chundan; Yu Miao; Cheng Haiyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537245","14.0087","","14.0087","","14.0087","","90","","90","","90","","2749.12","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Cu (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- Cu2 H22 Mo6 N2 O31 Te -","- Cu2 H20 Mo6 N2 O31 Te -","- Cu8 H80 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Cheng Haiyan; Yu Miao; Zhang Chundan; Sun Chunyan; Xie Linhua","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537248","14.0409","","14.0409","","14.0409","","90","","90","","90","","2768.12","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Zn (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mo6 N2 O31 Te Zn2 -","- Mo6 N2 O31 Te Zn2 -","- Mo24 N8 O124 Te4 Zn8 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Sun Chunyan; Zhang Chundan; Cheng Haiyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544425","7.7418","0.0006","7.77073","0.00006","14.859","0.001","90","","97.51","0.01","90","","886.24","0.09","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","KCa2Nb3O10","","","- Ca2 K Nb3 O10 -","- Ca2 K Nb3 O10 -","- Ca8 K4 Nb12 O40 -","4","1","","Tokumitsu, T.; Toda, S.; Aoyagi, T.; Sakuraba, D.; Uematsu, K.; Sato, M.","Powder neutron diffraction study of layered perovskite, KCa2Nb3O10","Journal of the Ceramic Society of Japan","2006","114","","795","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","187724","2020-10-21","18:00:00",""
"1544614","5.292","0.002","5.452","0.002","5.1149","0.0018","90","","95.89","0.03","90","","146.8","0.09","","","","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","iwashiroite-(Y)","","iwashiroite-(Y)","- E1.19 Nb0.39 O4 R Ta0.58 Ti0.02 Y0.81 -","- Ho0.22 Nb0.4 O4 Ta0.6 Y0.78 -","- Ho0.44 Nb0.8 O8 Ta1.2 Y1.56 -","2","0.5","","Hori, H.; Kobayashi, T.; Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shimizu, M.","Iwashiroite-(Y), YTaO3, a new mineral from Suishoyama, Kawamata town, Fukushima Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2006","101","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","188557","2020-10-21","18:00:00",""
"1544615","4.756","0.001","10.208","0.003","5.988","0.002","90","","90","","90","","290.71","0.14","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","hydrous forsterite","","Mg1.985Si0.993H0.06O4 hydrous forsterite","- H0.06 Mg1.985 O4 Si0.993 -","- Mg1.985 O4 Si0.993 -","- Mg7.94 O16 Si3.972 -","4","0.5","","Kudoh, Y.; Kuribayashi, T.; Kagi, H.; Inoue, T.","Cation vacancy and possible hydrogen positions in hydrous forsterite, Mg1.985Si0.993H0.06O4, synthesized at 13.5 GPa and 1300 ?C","Journal of Mineralogical and Petrological Sciences","2006","101","","265","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","188558","2020-10-21","18:00:00",""
"1545072","4.54","0.09","2.79","0.05","5.7","0.1","90","","90","","90","","72","2","","","","","","","","","","","","4","P m m n","P 2 2ab -1ab","59","LiMn0.95Ni0.05O2","","","- Li Mn0.95 Ni0.05 O2 -","- Li Mn0.95 Ni0.05 O2 -","- Li2 Mn1.9 Ni0.1 O4 -","2","","","Idemoto, Y.; Shimizu, D.; Koura, N.; Takahashi, Y.; Akimoto, J.","Electronic structure of LiMn1-xMxO2 (M=Mn,Co,Ni,Zn) as a cathode active material for Li secondary battery by MEM/Rietveld analysis and first principles calculations","Journal of the Ceramic Society of Japan","2006","114","","849","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","190698","2020-10-21","18:00:00",""
"1546034","5.205","0.005","5.205","0.005","11.275","0.007","90","","90","","90","","305.46","","","","","","1400000","","1400000","","","","","3","I 41/a :2","-I 4ad","88","","","Scheelite","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196686","2020-10-21","18:00:00",""
"1546035","5.069","0.002","10.851","0.005","5.081","0.007","90","","90.091","0.009","90","","279.47","","","","","","11300000","","11300000","","","","","3","I 1 2/a 1","-I 2ya","15","","","Fergusonite","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.5","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196686","2020-10-21","18:00:00",""
"1546036","5.391","0.008","5.391","0.008","11.893","0.007","90","","90","","90","","345.64","","","","","","200000","","200000","","","","","3","I 41/a :2","-I 4ad","88","","","Scheelite","- O4 Sr W -","- O4 Sr W -","- O16 Sr4 W4 -","4","0.25","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196687","2020-10-21","18:00:00",""
"1546037","5.263","0.009","11.182","0.006","5.231","0.006","90","","90.35","0.01","90","","307.84","","","","","","11000000","","11000000","","","","","3","I 1 2/a 1","-I 2ya","15","","","Fergusonite","- O4 Sr W -","- O4 Sr W -","- O16 Sr4 W4 -","4","0.5","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196687","2020-10-21","18:00:00",""
"1548619","11.00425","0.00028","11.00425","0.00028","11.00425","0.00028","90","","90","","90","","1332.54","0.06","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Cerium(IV) Neodymium Oxide (0.5/0.5/1.75)","","- Ce0.5 Nd0.5 O1.75 -","- Ce0.5 Nd0.5 O1.755 -","- Ce16 Nd16 O56.16 -","32","0.666667","","Chakraborty, K. R.; Krishna, P. S. R.; Chavan, S. V.; Tyagi, A. K.","A neutron diffraction study on ceria - neodia solid solutions","Powder Diffraction","2006","21","","36","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","204931","2020-10-21","18:00:00",""
"1556115","7.9578","0.0003","20.7251","0.0009","11.7791","0.0005","90","","110.834","0.003","90","","1815.66","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed [2+2+2] cycloaddition of 1,6-diynes with isothiocyanates and carbon disulfide.","Organic letters","2006","8","5","907","909","10.1021/ol053044r","","","1.54187","CuKα","","0.0332","0.028","","","0.0664","0.0711","","","","","","1.125","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1566647","9.2417","0.0001","7.4724","0.0001","10.297","0.0001","90","","109.687","0.0009","90","","669.521","0.014","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","ice XIII","","- D2 O -","- D1.92714 O -","- D53.96 O28 -","28","7","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273841","2022-03-20","07:29:06",""
"1566648","8.3499","0.0002","8.1391","0.0002","4.0825","0.0001","90","","90","","90","","277.449","0.012","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","ice XIV","","- D2 O -","- D2 O -","- D24 O12 -","12","3","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273842","2022-03-20","07:41:52",""
"2014295","12.448","0.003","14.878","0.004","22.483","0.006","90","","97.655","0.005","90","","4126.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-2-hydroxybutanedioato-1κ^2^O^4^,O^4'^:2κ^2^O^2^,O^2^-nitrato-2κO- tris(1,10-phenanthroline)-1κ^4^N,N';2κ^2^N,N'-dicopper(II) nitrate tetrahydrate","","- C40 H36 Cu2 N8 O15 -","- C40 H36 Cu2 N8 O15 -","- C160 H144 Cu8 N32 O60 -","4","1","AV1267","Zhang, Xiang-Dong; Sun, Jin-Yu; Zhao, Zhen; Ma, Yong-Chao; Zhu, Miao-Li","[{Cu(phen)~2~}(μ-malato){Cu(phen)(NO~3~)}](NO~3~)·4H~2~O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex","Acta Crystallographica Section C","2006","62","1","m4","m6","10.1107/S0108270105034220","","","0.71073","MoKα","","0.0685","0.0486","","","0.1313","0.1372","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014296","3.779","0.0004","11.207","0.0008","7.841","0.0007","90","","102.019","0.009","90","","324.8","0.05","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[diaqua-μ-fluoro-μ-squarato-vanadium(III)]","","- C4 H4 F O6 V -","- C4 H4 F O6 V -","- C8 H8 F2 O12 V2 -","2","0.5","AV1268","Mohanu, Antoneta; Trombe, Jean-Christian","VF(C~4~O~4~)(H~2~O)~2~: a new layer type of diaquavanadium(III) fluoride squarate","Acta Crystallographica Section C","2006","62","1","m16","m18","10.1107/S0108270105039259","","","0.71073","MoKα","","0.0792","0.0351","","","0.0673","0.0749","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014297","6.4236","0.0017","7.627","0.002","9.814","0.003","104.424","0.006","96.634","0.002","108.81","0.005","430.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","poly[di-μ-1,5-dicyanamido-μ-1,4-bis(1,2,4-triazol-1-yl)butane-cadmium(II)]","","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","1","0.5","AV1270","Li, Bao-Zong; Liu, Xun-Gao; Wang, Zhao-Hui; Li, Bao-Long; Zhang, Yong","A novel two-dimensional network cadmium(II) coordination polymer containing one 1,4-bis(1,2,4-triazol-1-yl)butane and double dicyanamide bridges","Acta Crystallographica Section C","2006","62","1","m10","m12","10.1107/S0108270105038102","","","0.71073","MoKα","","0.0171","0.0171","","","0.0449","0.0449","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014298","10.708","0.003","11.172","0.003","12.448","0.003","107.126","0.004","101.059","0.004","115.803","0.003","1189.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis(1,10-phenanthroline)tris(μ~3~-1,4-phenylenediacetato)trinickel(II)] dihydrate]","","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","1","0.5","AV1273","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","A novel nickel(II) coordination polymer incorporating 1,4-phenylenediacetic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2006","62","2","m48","m50","10.1107/S0108270105042575","","","0.71073","MoKα","","0.056","0.0357","","","0.0733","0.084","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014299","17.948","0.004","8.2512","0.0017","10.762","0.002","90","","90.461","0.004","90","","1593.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-n-decyl-4-hydroxyimino-3-methyl-1H-pyrazol-5(4H)-one","","- C14 H25 N3 O2 -","- C14 H25 N3 O2 -","- C56 H100 N12 O8 -","4","1","AV1274","Julio Belmar; Claudio Jiménez; Leandro Ortiz; María Teresa Garland; Ricardo Baggio","An oximino tautomer of 1-<i>n</i>-decyl-4-hydroxyimino-3-methyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2006","62","2","o76","o78","10.1107/S0108270105042204","","","0.71073","MoKα","","0.1369","0.0647","","","0.1532","0.1843","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014300","6.889","0.007","12.116","0.012","13.286","0.013","102.128","0.015","100.939","0.016","103.523","0.016","1020.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nitrobenzene derivative","2,3-dichloro-6-nitrobenzylaminium chloride","","- C7 H7 Cl3 N2 O2 -","- C7 H7 Cl3 N2 O2 -","- C28 H28 Cl12 N8 O8 -","4","2","AV1275","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Nagaraja, P.","Proton-bifurcated C—H···(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride","Acta Crystallographica Section C","2006","62","1","o36","o38","10.1107/S0108270105038114","","","0.71073","MoKα","","0.0771","0.0564","","","0.1419","0.1524","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014301","19.279","0.003","9.4502","0.0011","11.3308","0.0016","90","","107.736","0.012","90","","1966.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","((±)trans-1,2cnH)~2~ tetrathiomolybdate(VI)","Bis[(±)trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI)","","- C12 H30 Mo N4 S4 -","- C12 H30 Mo N4 S4 -","- C48 H120 Mo4 N16 S16 -","4","0.5","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0402","0.0244","","","0.0565","0.0605","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014302","7.0045","0.0012","9.6833","0.0018","10.53","0.002","108.621","0.01","92.564","0.01","106.24","0.01","642.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","","- C6 H16 Mo N2 S4 -","- C6 H16 Mo N2 S4 -","- C12 H32 Mo2 N4 S8 -","2","1","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0456","0.0219","","","0.0497","0.0531","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014303","9.2875","0.0003","10.3056","0.0003","13.3897","0.0004","81.468","0.001","85.416","0.001","64.27","0.001","1141.55","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{tert-Butyl[(E)-2-(tert-butylimino)ethyl]amido-k^2^N,N'} [bis(trimethylsilyl)amido-κN]tin(II)","","- C16 H39 N3 Si2 Sn -","- C16 H39 N3 Si2 Sn -","- C32 H78 N6 Si4 Sn2 -","2","1","AV1279","Guzei, Ilia A.; Timokhin, Vitaliy I.; West, Robert","[Bis(trimethylsilyl)amido-κ<i>N</i>]{<i>tert</i>-butyl[(<i>E</i>)-2-(<i>tert</i>-butylimino)ethyl]amido-κ^2^<i>N</i>,<i>N</i>'}tin(II), a key intermediate in the synthesis of 1,3-di-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-1,3,2-diazastannole","Acta Crystallographica Section C","2006","62","3","m90","m92","10.1107/S0108270106001697","","","0.71073","Mo-Kα","","0.0332","0.0311","","","0.0784","0.0798","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014304","5.429","0.001","5.443","0.001","7.66","0.002","90","","90","","90","","226.35","0.08","293","2","293","2","","","","","","","","4","P b n m","-P 2c 2ab","62","Europium strontium manganite perovskite","Europium strontium manganese trioxide","","- Eu2.36 Mn4 O12 Sr1.64 -","- Eu0.589 Mn O3 Sr0.412 -","- Eu2.356 Mn4 O12 Sr1.648 -","4","0.5","BC1078","Rafael Tamazyan; Nicola Rotiroti; Sander van Smaalen; Yakov Mukovskii; A. Arsenov","Twinning and structure of Eu~0.6~Sr~0.4~MnO~3~","Acta Crystallographica Section C","2006","62","1","i3","i5","10.1107/S0108270105036644","","","0.71069","MoKα","","0.0832","0.0399","","","0.0405","0.0438","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014305","11.28","0.0011","11.28","0.0011","9.6375","0.0011","90","","90","","120","","1061.97","0.19","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Iron(III) hypophosphite","Iron(III) tris[dihydrogenphosphate(I)]","","- Fe H6 O6 P3 -","- Fe H6 O6 P3 -","- Fe6 H36 O36 P18 -","6","0.333333","BC1084","Kuratieva, Natalia V.; Naumov, Dmitry Yu.","Iron(III) dihydrogenphosphate(I)","Acta Crystallographica Section C","2006","62","1","i9","i10","10.1107/S0108270105038035","","","0.71073","MoKα","","0.0403","0.0299","","","0.0693","0.0732","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014306","10.3273","0.0003","10.3273","0.0003","37.098","0.002","90","","90","","120","","3426.5","0.2","173","","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Calcium sodium vanadate phosphate whitlockite","Calcium sodium vanadate phosphate","","- Ca8.42 Na1.16 O28 P7 V -","- Ca8.418 Na1.164 O28 P7 V -","- Ca50.508 Na6.984 O168 P42 V6 -","6","0.333333","BC1085","Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov","A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~","Acta Crystallographica Section C","2006","62","2","i13","i15","10.1107/S0108270105039041","","","0.71069","MoKα","","0.016","0.016","","","0.0479","0.048","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014307","6.1393","0.0015","6.386","0.002","12.005","0.003","81.75","0.04","85.76","0.03","86.18","0.03","463.8","0.2","291","2","","","","","","","","","","6","P -1","-P 1","2","","molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","","- C7 H Cu3 Mo O7.5 Te -","- Cl2 Cu3 H Mo O7.5 Te -","- Cl4 Cu6 H2 Mo2 O15 Te2 -","2","1","BC1088","Takagi, Rie; Fabienne Duc; Johnsson, Mats; molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","MoCu~3~TeO~7~Cl~2~·0.5H~2~O","Acta Crystallographica Section C","2006","62","2","i16","i18","10.1107/S0108270106000679","","","0.71073","MoKα","","","0.0266","","","","0.0539","","","","","","0.851","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014308","11.1709","0.0008","4.9674","0.0007","10.5987","0.0008","90","","90","","90","","588.13","0.1","290","","290","","","","","","","","","4","P c c n","-P 2ab 2ac","56","lead dizinc orthoborate","Lead zinc borate","","- B2 O6 Pb Zn2 -","- B2 O6 Pb Zn2 -","- B8 O24 Pb4 Zn8 -","4","0.5","BC1089","Chen, Xue-An; Zhao, Ying-Hua; Chang, Xin-An; Zhang, Li; Xue, Hai-Ping","Lead zinc borate, PbZn~2~(BO~3~)~2~","Acta Crystallographica Section C","2006","62","1","i11","i12","10.1107/S0108270105040709","","","0.71073","MoKα","","0.0605","0.0449","","","0.136","0.1449","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014309","8.496","0.004","13.274","0.006","6.292","0.004","90","","90","","90","","709.6","0.6","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","rubidium tetraberyllium tris(borate)","rubidium tetraberyllium tris(borate)","","- B3 Be4 O9 Rb -","- B3 Be4 O9 Rb -","- B12 Be16 O36 Rb4 -","4","0.5","BC1092","Xiao-Hong Wen; R.-K. Li; C.-T. Chen","A new rubidium beryllium borate, RbBe~4~(BO~3~)~3~","Acta Crystallographica Section C","2006","62","3","i21","i23","10.1107/S0108270106003131","","","0.71073","MoKα","","0.0484","0.0436","","","0.1078","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014310","10.546","0.002","12.95","0.003","16.033","0.003","90","","90.58","0.03","90","","2189.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","","- C22 H54 N4 O28 V10 -","- C22 H54 N4 O28 V10 -","- C44 H108 N8 O56 V20 -","2","0.5","BG1023","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","Acta Crystallographica Section C","2006","62","2","m60","m62","10.1107/S0108270105042241","","","0.71073","MoKα","","0.0417","0.031","","","0.0854","0.0929","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014311","19.014","0.003","6.8434","0.001","9.4203","0.0014","90","","90","","90","","1225.8","0.3","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-μ~3~-malonato-malonatobarium(II)zinc(II)]","","- C6 H12 Ba O12 Zn -","- C6 H12 Ba O12 Zn -","- C24 H48 Ba4 O48 Zn4 -","4","0.5","BM1619","Guo Ming-Lin; Guo Chen-Hu","Poly[tetraaquadi-μ~4~-malonato-barium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","1","m7","m9","10.1107/S0108270105036358","","","0.71073","MoKα","","0.0275","0.0194","","","0.0429","0.0456","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014312","9.943","0.003","5.351","0.002","11.154","0.003","90","","105.38","0.03","90","","572.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosine methyl ester hydrochloride","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C20 H28 Cl2 N2 O6 -","2","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","0.71073","MoKα","","0.0545","0.0422","","","0.0881","0.0913","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014313","5.424","0.002","11.08","0.003","21.647","0.005","90","","90","","90","","1300.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-tyrosine methyl ester hydrochloride methanol solvate","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride methanol solvate","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C44 H72 Cl4 N4 O16 -","4","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","1.5418","CuKα","","0.0415","0.0403","","","0.107","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014314","10.3541","0.0012","13.5873","0.0015","21.746","0.003","90","","103.791","0.005","90","","2971.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate","","- C26 H31 Cl3 Fe N7 O3 -","- C26 H31 Cl3 Fe N7 O3 -","- C104 H124 Cl12 Fe4 N28 O12 -","4","1","BM3001","Feng, Si-Si; Lu, Li-Ping; Wang, Shu-Xia; Li, Li; Zhu, Miao-Li","<i>cis</i>-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate: hydrogen bonding changing the arrangement of tapes built from π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","3","m105","m108","10.1107/S0108270106002630","","","0.71073","MoKα","","0.0642","0.0441","","","0.104","0.113","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014315","4.9402","0.0002","5.6847","0.0003","25.9862","0.0013","90","","94.495","0.002","90","","727.54","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","BM3004","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide","Acta Crystallographica Section C","2006","62","3","o153","o154","10.1107/S0108270106003441","","","0.71073","MoKα","","0.0602","0.0392","","","0.0827","0.0909","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014316","35.62","0.011","4.9487","0.0016","9.406","0.003","90","","90.447","0.005","90","","1658","0.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","n-hexadecanoic acid","","- C16 H32 O2 -","- C16 H32 O2 -","- C64 H128 O8 -","4","1","DN3001","Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Lahoz, Fernando J.; Balana, Ana I.","The <i>C</i> form of <i>n</i>-hexadecanoic acid","Acta Crystallographica Section C","2006","62","3","o129","o131","10.1107/S0108270106003106","","","0.71073","MoKα","","0.1283","0.0921","","","0.2406","0.2625","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014317","9.6673","0.0007","9.6787","0.0007","15.588","0.0018","90","","107.131","0.002","90","","1393.8","0.2","293","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0972","0.0412","","","0.1229","0.1449","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014318","16.163","0.001","6.578","0.001","13.583","0.001","90","","93.73","0.02","90","","1441.1","0.3","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0897","0.0505","","","0.1663","0.1822","","","","","","1.139","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014319","18.513","0.002","13.916","0.001","9.6383","0.0007","90","","90","","90","","2483.1","0.4","293","2","293","2","","","","","","","","4","P m m a","-P 2a 2a","51","","Poly[caesium [[μ~4~-carbido-dodecakis-μ~2~-chloro-hexazirconium]-tri-μ~2~-chloro]]","","- C Cl15 Cs Zr6 -","- C Cl15 Cs Zr6 -","- C4 Cl60 Cs4 Zr24 -","4","0.5","FA1155","Rohm, Henning W.; Köckerling, Martin","Cation distribution in the zirconium chloride cluster phase Cs[(Zr~6~C)Cl~15~]","Acta Crystallographica Section C","2006","62","2","i19","i20","10.1107/S0108270105043076","","","0.71073","MoKα","","0.0583","0.0455","","","0.117","0.1275","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014320","8.7074","0.0017","17.749","0.004","14.081","0.003","90","","104.53","0.03","90","","2106.6","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Methoxyethoxy)ethyl 4-[5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3- yl)diazenyl]benzoate","","- C21 H24 N4 O6 -","- C21 H24 N4 O6 -","- C84 H96 N16 O24 -","4","1","FA1171","Qian, Hui-Fen; Huang, Wei","An azo dye molecule having a pyridine-2,6-dione backbone","Acta Crystallographica Section C","2006","62","2","o62","o64","10.1107/S0108270105041211","","","0.71073","MoKα","","0.0583","0.0537","","","0.1391","0.142","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014321","7.6594","0.0002","7.7717","0.0001","8.7972","0.0002","113.248","0.001","108.653","0.001","97.495","0.001","435.608","0.017","293","","293","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]","","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","1","0.5","FA1173","Amalija Golobič; Martina Malekovič; Primož Šegedin","<i>catena</i>-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]: a new mode of bridging between binuclear and mononuclear formate‒copper(II) units","Acta Crystallographica Section C","2006","62","3","m102","m104","10.1107/S0108270106001636","","","0.71073","MoKα","","","0.052","","","","0.152","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014322","19.357","0.003","16.537","0.002","21.783","0.003","90","","97.09","0.01","90","","6919.6","1.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III)","","- C64 H32 As4 I8 N16 -","- C64 H32 As4 I8 N16 -","- C256 H128 As16 I32 N64 -","4","0.5","FA1174","Jan Janczak; Genivaldo Júlio Perpétuo","Bis{[phthalocyaninato(2‒)]arsenic(III)} octaiododiarsenic(III)","Acta Crystallographica Section C","2006","62","2","m45","m47","10.1107/S0108270105042113","","","0.71073","MoKα","","0.0765","0.0488","","","0.1196","0.1386","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014323","10.7354","0.0006","22.1257","0.0012","23.6103","0.0013","99.38","0.001","95.008","0.001","92.238","0.001","5503.9","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C192 H208 Co12 F48 N32 O32 P8 -","4","2","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.8461","synchrotron","","0.0636","0.0556","","","0.1462","0.1521","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014324","10.688","0.004","11.839","0.004","12.48","0.004","98.149","0.005","103.605","0.005","111.722","0.005","1379.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","1","0.5","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.6711","synchrotron","","0.1043","0.0723","","","0.1948","0.2144","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014325","5.1761","0.0004","13.9774","0.0011","16.8689","0.0014","90","","90","","90","","1220.44","0.17","298","2","298","1","","","","","","","Hagendorf pegmatite, Bavaria, Germany","6","C m c m","-C 2c 2","","","iron manganese zinc tris(phosphate) pentahydroxide","Frondelite","- Fe4.32 H5 Mn0.62 O17 P3 Zn0.06 -","- Fe4.32 H3 Mn0.62 O17 P3 Zn0.06 -","- Fe17.28 H12 Mn2.48 O68 P12 Zn0.24 -","4","0.25","FA1177","Redhammer, Günther J.; Roth, Georg; Tippelt, Gerold; Bernroider, Manfred; Lottermoser, Werner; Amthauer, Georg; Hochleitner, Rupert","Manganoan rockbridgeite Fe~4.32~Mn~0.62~Zn~0.06~(PO~4~)~3~(OH)~5~: structure analysis and ^57^Fe Mössbauer spectroscopy","Acta Crystallographica Section C","2006","62","3","i24","i28","10.1107/S0108270106002472","","","0.71073","MoKα","","","0.039","","","","0.078","","","","","","1.393","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2014326","5.4845","0.0002","6.4997","0.0003","7.6758","0.0003","84.121","0.002","73.816","0.003","71.792","0.003","249.587","0.019","120","2","150","2","","","","","","","","4","P -1","-P 1","2","2-mercaptothiazoline","1,3-thiazolidine-2-thione","","- C3 H5 N S2 -","- C3 H5 N S2 -","- C6 H10 N2 S4 -","2","1","FA1178","Corrêa, Rodrigo S.; Santana, Sarita A.; Salloum, Rogêrio; Silva, Rosalice M.; Doriguetto, Antônio C.","A triclinic polymorph of 1,3-thiazolidine-2-thione (2-mercaptothiazoline)","Acta Crystallographica Section C","2006","62","3","o115","o117","10.1107/S0108270106002484","","","0.71073","MoKα","","","0.0259","","","","0.0628","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014327","16.9692","0.0011","5.2167","0.0003","12.4065","0.0008","90","","90.942","0.001","90","","1098.11","0.12","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-isoleucyl-L-serin 0.33-hydrate","","- C9 H18.67 N2 O4.33 -","- C9 H18.668 N2 O4.334 -","- C36 H74.672 N8 O17.336 -","4","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0365","0.0339","","","0.0884","0.091","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014328","7.6434","0.0007","5.7609","0.0005","13.4396","0.0012","90","","93.754","0.004","90","","590.51","0.09","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-phenylalanyl-L-serine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0329","0.0307","","","0.0826","0.084","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014329","16.791","0.004","5.0711","0.0011","26.851","0.006","90","","100.926","0.004","90","","2244.9","0.9","105","2","105","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Methionyl-L-Serine 0.34-hydrate","","- C8 H16.68 N2 O4.34 S -","- C8 H16.6775 N2 O4.33875 S -","- C64 H133.42 N16 O34.71 S8 -","8","2","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0897","0.0726","","","0.1937","0.2011","","","","","","1.54","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014330","5.97","0.001","6.775","0.001","13.335","0.003","85.23","0.03","83.31","0.03","83.22","0.03","530.62","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","glycin cobalt sulphate pentahydrate","hexaaquacobalt(II) tetraaquadiglycinatocobalt(II) sulfate","","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","1","0.5","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0216","0.0202","","","0.0511","0.0519","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014331","17.775","0.004","7.311","0.001","22.595","0.005","90","","100.1","0.03","90","","2890.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","glycine sodium thiosulphate dihydrate","poly[diaqua-μ~3~-glycinato-di-μ~4~-thiosulfato-thiosulfatotetrasodium(I)","","- C2 H9 N Na4 O10 S4 -","- C2 H9 N Na4 O10 S4 -","- C16 H72 N8 Na32 O80 S32 -","8","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.029","0.0249","","","0.0625","0.0649","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014332","5.63","0.001","20.244","0.004","7.762","0.002","90","","94.33","0.03","90","","882.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","glycin potassium thiosulphate","poly[μ~2~-glycinato-μ~4~-thiosulfato-dipotassium(I)]","","- C2 H5 K2 N O5 S2 -","- C2 H5 K2 N O5 S2 -","- C8 H20 K8 N4 O20 S8 -","4","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0287","0.0229","","","0.0561","0.0582","","","","","","1.095","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014333","12.541","0.003","9.5315","0.0019","15.989","0.003","90","","110.91","0.03","90","","1785.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(azonia-12-crown-4) bis(4-aminobenzoate) trihydrate","bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","","- C30 H54 N4 O13 -","- C30 H54 N4 O13 -","- C60 H108 N8 O26 -","2","1","FG3002","Basok, Stepan S.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Eduard V.; Simonov, Yurii A.","Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","Acta Crystallographica Section C","2006","62","1","o50","o52","10.1107/S0108270105040667","","","0.71073","MoKα","","0.0457","0.0301","","","0.0584","0.0618","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014334","7.224","0.002","8.701","0.002","10.382","0.003","103.51","0.03","98.97","0.03","110.98","0.03","571.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","N-(5-bromo-2-pyridyl)aminomethane-1,1-diphosphonic acid","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","","- C6 H9 Br N2 O6 P2 -","- C6 H9 Br N2 O6 P2 -","- C12 H18 Br2 N4 O12 P4 -","2","1","FG3003","Ewa Matczak-Jon; Katarzyna Ślepokura; Paweł Kafarski","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","Acta Crystallographica Section C","2006","62","3","o132","o135","10.1107/S0108270106002423","","","0.71073","MoKα","","0.0467","0.034","","","0.0674","0.0713","","","","","","1.081","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014335","6.448","0.0011","14.099","0.002","15.924","0.002","90","","94.617","0.012","90","","1443","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","GA1110","Leji Latheef; E. Manoj; M. R. Prathapachandra Kurup","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o16","o18","10.1107/S010827010503564X","","","0.71073","MoKα","","0.1402","0.0444","","","0.089","0.1102","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014336","12.6628","0.001","18.8367","0.0015","20.138","0.0016","90","","95.789","0.001","90","","4778.9","0.7","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cu(phen)~3~][Hg~2~I~6~] DMSO H~2~O","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","","- C38 H32 Cu Hg2 I6 N6 O2 S -","- C38 H31 Cu Hg2 I6 N6 O2 S -","- C152 H124 Cu4 Hg8 I24 N24 O8 S4 -","4","1","GA1111","Oh, Myeong-Jin; Lee, Yong-Min; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","Acta Crystallographica Section C","2006","62","2","m51","m53","10.1107/S0108270105043088","","","0.71073","MoKα","","0.085","0.0411","","","0.08","0.0943","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014337","7.2388","0.0005","22.3068","0.0011","7.7746","0.0005","90","","108.884","0.005","90","","1187.83","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","di-μ-pyridazine-1κ^2^N:2κN'-bis[(2,3-dihydro-3- oxobenzisosulfonazolato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C44 H32 Ag4 N12 O12 S4 -","2","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0297","0.0262","","","0.0624","0.0634","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014338","7.3231","0.0008","7.7516","0.0009","11.5389","0.0014","73.09","0.009","83.087","0.01","71.148","0.009","592.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","1","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0289","0.0251","","","0.0658","0.0664","","","","","","1.083","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014339","21.131","0.004","6.8459","0.0011","15.376","0.003","90","","103.135","0.002","90","","2166.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-biphenyldicarboxylic acid‒2,5-bis(4-pyridyl)-1,3,4-oxadiazole (1/1)","","- C26 H18 N4 O5 -","- C26 H18 N4 O5 -","- C104 H72 N16 O20 -","4","0.5","GD1421","Miao Du; Yan-Ping You; Zhi-Hui Zhang","Hydrogen-bonded sheets in the 1:1 cocrystal of biphenyl-4,4'-dicarboxylic acid with 2,5-di-4-pyridyl-1,3,4-oxadiazole","Acta Crystallographica Section C","2006","62","1","o33","o35","10.1107/S0108270105039077","","","0.71073","MoKα","","0.0634","0.0386","","","0.1021","0.1112","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014340","9.0606","0.0018","7.2027","0.0014","13.309","0.003","90","","119.96","0.03","90","","752.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-dihydroxynaphthalene","Naphthalene-1,3-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","GD1424","Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr","Naphthalene-1,3-diol","Acta Crystallographica Section C","2006","62","2","o68","o70","10.1107/S010827010504093X","","","0.71073","MoKα","","0.0594","0.0489","","","0.1129","0.1192","","","","","","1.171","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014341","8.7638","0.0007","12.4371","0.001","13.572","0.0011","110.55","0.006","97.483","0.007","101.857","0.006","1322.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Disodium 2,5-dianilinoterephthalate decahydrate","","- C20 H34 N2 Na2 O14 -","- C20 H33 N2 Na2 O14 -","- C40 H66 N4 Na4 O28 -","2","1","GD1425","Schmidt, Martin U.; Schmiermund, Torsten; Bolte, Michael","Disodium 2,5-bis(phenylamino)terephthalate decahydrate, an intermediate in the industrial synthesis of quinacridone pigments","Acta Crystallographica Section C","2006","62","2","m37","m40","10.1107/S0108270105040114","","","0.71073","MoKα","","0.0618","0.0507","","","0.1342","0.1411","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014342","14.9018","0.0017","16.7328","0.0017","12.5546","0.0014","90","","113.446","0.002","90","","2872","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II)","","- C11 H16 Cl2 N4 Zn -","- C11 H16 Cl2 N4 Zn -","- C88 H128 Cl16 N32 Zn8 -","8","1","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0249","0.0236","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014343","7.7033","0.0017","9.232","0.002","11.513","0.002","112.752","0.019","102.34","0.02","97.28","0.03","717.4","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}","","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","1","0.5","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0189","0.0177","","","0.0438","0.0444","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014344","15.0755","0.0011","10.6965","0.0005","10.5305","0.0007","90","","107.123","0.005","90","","1622.83","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium O,O-dicyclohexyl phosphorodithioate","","- C12 H26 N O2 P S2 -","- C12 H26 N O2 P S2 -","- C48 H104 N4 O8 P4 S8 -","4","1","GD3002","Mustafa Serkan Soylu; Mehtap Yağan; Nezihe Çalıs̨kan; Bekir Batı; Orhan Büyükgüngör","Ammonium <i>O</i>,<i>O</i>-dicyclohexyl phosphorodithioate","Acta Crystallographica Section C","2006","62","3","o145","o147","10.1107/S0108270106003969","","","0.71073","MoKα","","0.052","0.0387","","","0.1009","0.1063","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014345","12.3571","0.0006","6.5465","0.0002","15.1231","0.0006","90","","95.556","0.004","90","","1217.65","0.09","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","","- C3 H21 N3 O8 P2 -","- C3 H21 N3 O8 P2 -","- C12 H84 N12 O32 P8 -","4","1","GG1289","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Dušek, Michal","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","Acta Crystallographica Section C","2006","62","2","o73","o75","10.1107/S0108270105041934","","","0.71069","MoKα","","0.032","0.026","","","0.0766","0.08","","","","","","1.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014346","14.628","0.001","28.573","0.005","17.324","0.002","90","","106.39","0.05","90","","6947","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris{chloro[6-(1-diphenylphosphinoxy-1-methylethyl)-2- ethylpyridine-κ^2^N,P]methylpalladium(II)} chloroform solvate","","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C268 H304 Cl24 N12 O12 P12 Pd12 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1065","0.0587","","","0.1047","0.1234","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014347","10.151","0.001","11.461","0.001","12.106","0.002","95.4","0.05","109.93","0.05","112.23","0.05","1184.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]palladium(II)","","- C26 H24 Cl2 N P Pd -","- C26 H24 Cl2 N P Pd -","- C52 H48 Cl4 N2 P2 Pd2 -","2","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.0402","0.0305","","","0.0719","0.0776","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014348","11.507","0.001","12.011","0.002","17.49","0.002","90","","99.92","0.05","90","","2381.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]methylpalladium(II)","","- C27 H27 Cl N P Pd -","- C27 H27 Cl N P Pd -","- C108 H108 Cl4 N4 P4 Pd4 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1214","0.0553","","","0.0934","0.1123","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014349","36.496","0.007","4.603","0.0009","12.231","0.002","90","","95.06","0.03","90","","2046.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis[4-(salicylideneamino)phenyl]methane","2,2'-[methylenedi-p-phenylenebis(nitrilomethylidyne)]diphenol","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","0.5","GG1307","Henrik Birkedal; Philip Pattison","Bis[4-(salicylideneamino)phenyl]methane","Acta Crystallographica Section C","2006","62","3","o139","o141","10.1107/S0108270106003283","","","0.8","synchrotron","","0.061","0.0562","","","0.163","0.1676","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014350","10.0911","0.0006","12.279","0.0007","11.1598","0.0007","90","","104.24","0.001","90","","1340.31","0.14","118","2","118","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium risedronate dihydrate","Ammonium [1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl]phosphonate dihydrate","","- C7 H18 N2 O9 P2 -","- C7 H18 N2 O9 P2 -","- C28 H72 N8 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0628","0.0478","","","0.1054","0.1113","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014351","6.5356","0.0004","28.1606","0.0017","6.9636","0.0004","90","","95.993","0.001","90","","1274.62","0.13","118","2","118","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","potassium risedronate dihydrate","monopotassium [1-hydroxy-1-phosphono-2-(pyridinum-3-yl)ethyl]phosphonate dihydrate","","- C7 H14 K N O9 P2 -","- C7 H14 K N O9 P2 -","- C28 H56 K4 N4 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0397","0.0341","","","0.0856","0.088","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014352","17.585","0.002","6.8615","0.0005","13.9453","0.0016","90","","103.035","0.01","90","","1639.3","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","GZ1025","Dinçer, Muharrem; Özdemir, Namık; Saydam, Sinan; Bekaroğlu, Özer; Büyükgüngör, Orhan","Hydrogen bonding in <i>meso</i>-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings","Acta Crystallographica Section C","2006","62","2","o89","o91","10.1107/S0108270106001053","","","0.71073","MoKα","","0.06","0.0532","","","0.1424","0.1484","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014353","7.659","0.003","13.872","0.005","16.479","0.005","113.175","0.005","99.171","0.006","96.799","0.005","1557","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Daphnoretin","7-Hydroxy-6-methoxy-2-oxo-2H-chromen-3-yl 2-oxo-2H-chromen-7-yl ether","","- C19 H12 O7 -","- C19 H12 O7 -","- C76 H48 O28 -","4","2","GZ1026","Tian-Zhu Zhang; Chun-Yan Wei; Guo-Hai Xu; Se-Won Park","7-Hydroxy-6-methoxy-3-[(2-oxo-2<i>H</i>-1-benzopyran-7-yl)oxy]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","2006","62","2","o86","o88","10.1107/S0108270106000874","","","0.71073","MoKα","","0.0748","0.0452","","","0.0829","0.0933","","","","","","0.949","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014354","9.9776","0.0006","14.0647","0.0008","19.586","0.001","70.511","0.002","82.199","0.002","71.989","0.002","2462.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","trans-(12,12-dimethyl-1,4,7,10- tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","","- C32 H58 Co2 N16 O S8 Zn -","- C32 H58 Co2 N16 O S8 Zn -","- C64 H116 Co4 N32 O2 S16 Zn2 -","2","1","HJ1078","Neil F. Curtis; Kelly Flood; Ward T. Robinson","A cobalt(III) compound of a 13-membered cyclic tetraamine: <i>trans</i>-(12,12-dimethyl-1,4,7,10-tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","Acta Crystallographica Section C","2006","62","2","m78","m80","10.1107/S0108270105042940","","","0.71073","MoKα","","0.0272","0.0236","","","0.0622","0.0644","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014355","13.2379","0.0007","7.8883","0.0004","29.4118","0.0017","90","","90","","90","","3071.3","0.3","114","2","114","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine","","- C15 H20 I N3 -","- C15 H20 I N3 -","- C120 H160 I8 N24 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0661","0.0362","","","0.0708","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014356","28.0177","0.0004","6.8221","0.0009","18.9339","0.0004","90","","113.61","0.03","90","","3316.1","0.9","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine dihydrate","","- C15 H24 Br N3 O2 -","- C15 H24 Br N3 O2 -","- C120 H192 Br8 N24 O16 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0667","0.0365","","","0.0701","0.0799","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014357","11.096","0.0002","14.6481","0.0003","15.1797","0.0004","79.552","0.001","88.019","0.001","72.336","0.001","2311.38","0.09","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","7-chloro-4-[2-(diethylammonio)ethylamino]quinolinium bis(dihydrogenphosphate) phosphoric acid","","- C15 H29 Cl N3 O12 P3 -","- C15 H29 Cl N3 O12 P3 -","- C60 H116 Cl4 N12 O48 P12 -","4","2","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.096","0.0542","","","0.1207","0.1397","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014358","7.324","0.0006","13.7493","0.0012","15.9016","0.0013","90","","90.72","0.002","90","","1601.2","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(dinitrato-κ^2^O,O')cadmium(II)]-μ-1,2,3,6,7,8- hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^]","","- C12 H14 Cd N6 O7 -","- C12 H14 Cd N6 O7 -","- C48 H56 Cd4 N24 O28 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0255","0.0222","","","0.0548","0.0562","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014359","12.257","0.0012","12.5085","0.0011","15.8471","0.0014","90","","102.687","0.002","90","","2370.3","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[(dinitrato-κ^2^O,O')cadmium(II)]-μ-2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^] chloroform solvate]","","- C17 H21 Cd Cl3 N6 O6 -","- C17 H21 Cd Cl3 N6 O6 -","- C68 H84 Cd4 Cl12 N24 O24 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0287","0.0254","","","0.0621","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014360","12.517","0.001","10.206","0.001","14.704","0.002","90","","111.747","0.007","90","","1744.7","0.3","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1',5'-dimethylspiro[10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5,8'- 4'-oxatricyclo[5.1.0.0^3,5^]octane]-2',6'-dione","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.0863","","","","0.1884","","","","","","1.962","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014361","9.4653","0.0003","14.6974","0.0004","25.389","0.0009","90","","90","","90","","3532","0.19","213.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.077","","","","0.1761","","","","","","1.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014362","6.98","0.001","10.936","0.002","18.955","0.003","90","","93.901","0.002","90","","1443.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H14 Cl N3 Ni O S -","- C12 H14 Cl N3 Ni O S -","- C48 H56 Cl4 N12 Ni4 O4 S4 -","4","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0632","0.0454","","","0.1043","0.1132","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014363","6.75","0.001","19.893","0.002","20.585","0.002","90","","90","","90","","2764.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C88 H112 Cl8 N40 Ni8 O8 -","8","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0388","0.0295","","","0.0694","0.0738","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014364","12.2239","0.0002","12.2239","0.0002","12.2239","0.0002","90","","90","","90","","1826.54","0.05","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","tricesium lithium dicobalt tetrakis(tetraoxomolybdate)","","- Co2 Cs3 Li Mo4 O16 -","- Co2 Cs3 Li0.999999 Mo4 O16 -","- Co8 Cs12 Li4 Mo16 O64 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0254","0.0175","","","0.0368","0.038","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014365","11.9018","0.0014","11.9018","0.0014","11.9018","0.0014","90","","90","","90","","1685.9","0.3","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","trirubidium lithium dizinc tetrakis(tetraoxomolybdate)","","- Li Mo4 O16 Rb3 Zn2 -","- Li0.999999 Mo4 O16 Rb3 Zn2 -","- Li4 Mo16 O64 Rb12 Zn8 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0124","0.0114","","","0.0258","0.0259","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014366","8.7549","0.0012","8.9042","0.0012","9.0128","0.0013","95.81","0.003","114.955","0.002","103.061","0.003","604.96","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","BMIMPF6","1-butyl-3-methylimidazolium hexafluorophosphate","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","JZ1769","Dibrov, Sergey M.; Kochi, Jay K.","Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate","Acta Crystallographica Section C","2006","62","1","o19","o21","10.1107/S0108270105037200","","","0.71073","MoKα","","0.0522","0.0434","","","0.1199","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014367","10.775","0.002","11.668","0.002","14.29","0.003","90","","100.572","0.003","90","","1766.1","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{N-[2-(2-hydroxybenzamido)ethylammonioethyl]aminocarbonyl}phenolate","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C72 H84 N12 O16 -","4","1","JZ1772","Liu, Hui-Min; He, Lei; Luo, Xiao-Lan; Zhang, Wen-Qin","A zwitterion of 1,5-bis(2-hydroxybenzamido)-3-azapentane: a two-dimensional hydrogen-bonding network involving dimers","Acta Crystallographica Section C","2006","62","2","o104","o106","10.1107/S0108270106001545","","","0.71073","MoKα","","0.0884","0.0413","","","0.097","0.1184","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014368","4.7087","0.0004","14.1428","0.0012","23.2401","0.0019","90","","90","","90","","1547.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl β-L-lactoside","Methyl 4-O-β-L-galactopyranosyl-β-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","JZ1778","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>L</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside (methyl β-<small>L</small>-lactoside)","Acta Crystallographica Section C","2006","62","2","o82","o85","10.1107/S010827010504254X","","","0.71073","MoKα","","0.0406","0.0333","","","0.0832","0.0876","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014369","5.473","0.0015","7.773","0.002","13.011","0.004","100.112","0.004","93.292","0.004","100.744","0.004","533","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","DL-lysine complex","bis(DL-lysinium) adipate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.048","0.044","","","0.1162","0.1195","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014370","10.532","0.003","7.2834","0.0017","10.599","0.003","90","","113.352","0.003","90","","746.4","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-lysine complex","L-lysine hydrogen adipate","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.0565","0.051","","","0.1299","0.1345","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014371","10.776","0.007","7.483","0.005","26.381","0.018","90","","99.406","0.01","90","","2099","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2H-chromen-2-one monohydrate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","LN1189","Xiang Zhou; Xiao-Bing Wang; Ling-Yi Kong","Hydrogen bonding and π‒π stacking in 7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2<i>H</i>-chromen-2-one monohydrate","Acta Crystallographica Section C","2006","62","2","o58","o61","10.1107/S0108270105040928","","","0.71073","MoKα","","0.0828","0.0456","","","0.1016","0.1235","","","","","","1.027","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014372","8.5175","0.0006","11.3011","0.0008","17.0503","0.0013","90","","90","","90","","1641.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0292","0.0254","","","0.0576","0.0588","","","","","","0.954","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014373","8.5276","0.0006","11.309","0.0011","17.0624","0.0012","90","","90","","90","","1645.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,4R)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0298","0.0282","","","0.0755","0.0762","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014374","18.12","0.004","11.317","0.002","19.777","0.004","90","","90","","90","","4055.6","1.4","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","","- C22 H27 Cu N3 O2 -","- C22 H27 Cu N3 O2 -","- C176 H216 Cu8 N24 O16 -","8","1","LN3001","Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","Acta Crystallographica Section C","2006","62","3","m87","m89","10.1107/S0108270105043258","","","0.71073","MoKα","","0.0736","0.0465","","","0.0896","0.0973","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014375","14.808","0.001","16.478","0.002","11.758","0.001","90","","90.84","0.01","90","","2868.7","0.5","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo- [bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","","- C8 H41 I3 N8 O11 P2 Pt2 -","- C8 H41 I3 N8 O11 P2 Pt2 -","- C32 H164 I12 N32 O44 P8 Pt8 -","4","1","OB1246","Matsushita, Nobuyuki","A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo-[bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","Acta Crystallographica Section C","2006","62","2","m33","m36","10.1107/S0108270105041247","","","0.71069","MoKα","","","0.0325","","","0.083","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014376","9.815","0.003","13.105","0.003","32.039","0.007","90","","96.62","0.015","90","","4093.6","1.8","298","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","","- C35 H37 F12 N6 O1.5 P2 Pt -","- C35 H37 F12 N6 O1.5 P2 Pt -","- C140 H148 F48 N24 O6 P8 Pt4 -","4","1","RB1020","Rotondo, Archimede","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","Acta Crystallographica Section C","2006","62","1","m19","m21","10.1107/S0108270105040163","","","0.71073","MoKα","","","0.067","","","","0.1219","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014377","10.3369","0.0011","9.6662","0.001","15.4737","0.0016","90","","105.72","0.002","90","","1488.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquamalonato(1,10-phenanthroline)zinc(II)","","- C15 H14 N2 O6 Zn -","- C15 H14 N2 O6 Zn -","- C60 H56 N8 O24 Zn4 -","4","1","SF1018","Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang","Diaquamalonato(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2006","62","1","m13","m15","10.1107/S0108270105038047","","","0.71073","MoKα","","0.0442","0.0328","","","0.0682","0.0713","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014378","5.5803","0.0003","11.5739","0.001","13.142","0.0008","90","","98.66","0.005","90","","839.11","0.1","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoin-4-ethylthiosemicarbazone","2-hydroxy-1,2-diphenylethanone 4-ethylthiosemicarbazone","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","SF1021","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","Benzoin 4-ethylthiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o13","o15","10.1107/S0108270105037728","","","0.71073","MoKα","","0.0743","0.0483","","","0.1226","0.135","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014379","7.151","0.003","21.43","0.004","18.274","0.003","90","","95.479","0.01","90","","2787.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{cis-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2H-pyran- 4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","","- C30 H34 F N O7 S -","- C30 H34 F N O7 S -","- C120 H136 F4 N4 O28 S4 -","4","1","SF1022","Charlier, Caroline; Delayen, Aurelie; Norberg, Bernadette; Hénichart, Jean-Pierre; Wouters, Johan","(2<i>RS</i>,5<i>SR</i>,6<i>SR</i>)-Methyl 4-{<i>cis</i>-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","Acta Crystallographica Section C","2006","62","2","o92","o94","10.1107/S0108270106001065","","","1.54178","CuKα","","0.0901","0.0605","","","0.1591","0.1763","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014380","10.333","0.002","28.914","0.005","41.642","0.008","90","","90","","90","","12441","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B3 N3 O6 -","- C45 H108 B9 N9 O18 -","- C360 H864 B72 N72 O144 -","8","1","SF1024","Gainsford, Graeme J.; Al-Salim, Najeh","Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound","Acta Crystallographica Section C","2006","62","2","o65","o67","10.1107/S0108270105041089","","","0.71073","MoKα","","0.1858","0.0695","","","0.1123","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014381","11.3652","0.0002","16.3372","0.0003","14.0065","0.0003","90","","109.949","0.001","90","","2444.62","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile solvate","","- C48 H42 Cl2 Cu N14 O8 -","- C48 H42 Cl2 Cu N14 O8 -","- C96 H84 Cl4 Cu2 N28 O16 -","2","0.5","SF1025","Goodman, M. Scott; Goodman, Margaret A.; Kovalevsky, Andrey Y.; Nazarenko, Alexander Y.; Pope, Donald","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2006","62","2","m30","m32","10.1107/S0108270105041661","","","0.71073","MoKα","","0.0382","0.0323","","","0.085","0.0882","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014382","8.8451","0.0005","9.751","0.003","16.1106","0.001","98.127","0.008","90.392","0.005","107.899","0.01","1307.2","0.4","291","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde","","- C23 H40 O4 Si2 -","- C23 H40 O4 Si2 -","- C46 H80 O8 Si4 -","2","1","SF1028","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Siquet, C.; Borges, F.","2,2,4,4-Tetra-<i>tert</i>-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","2","o96","o97","10.1107/s0108270105043052","","","1.54178","CuKα","","0.0711","0.0483","","","0.1294","0.1479","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","277834","2022-09-14","16:39:43",""
"2014383","4.0511","0.0009","12.076","0.003","12.771","0.003","90","","90.287","0.012","90","","624.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(3-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","SK1880","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) rings","Acta Crystallographica Section C","2006","62","1","o5","o7","10.1107/S0108270105033512","","","0.71073","MoKα","","0.1264","0.0671","","","0.147","0.2008","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014384","7.1162","0.0004","7.1895","0.0002","9.1695","0.0004","83.21","0.003","78.92","0.002","64.808","0.003","416.25","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0498","0.0395","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014385","6.1908","0.0003","4.9761","0.0002","30.1095","0.0015","90","","94.331","0.003","90","","924.91","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-N,N'-bis(4-nitrobenzylidene)hexane-1,6-diamine","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C40 H44 N8 O8 -","2","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0695","0.0445","","","0.1023","0.1133","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014386","8.0214","0.0003","13.7477","0.0004","13.2847","0.0004","90","","95.3019","0.0017","90","","1458.71","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 5-cyano-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3-carboxylate","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0657","0.0478","","","0.1218","0.1324","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014387","8.0511","0.0002","15.173","0.004","14.47","0.004","90","","105.76","0.002","90","","1701.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H20 N2 O7 -","- C17 H20 N2 O7 -","- C68 H80 N8 O28 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0626","0.0465","","","0.118","0.1275","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014388","9.5651","0.0003","7.5735","0.0002","17.6385","0.0005","90","","96.257","0.0013","90","","1270.14","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarbonitrile","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0543","0.0392","","","0.0959","0.1051","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014389","5.5055","0.0002","11.8317","0.0003","13.5668","0.0004","83.321","0.0017","78.956","0.0017","86.396","0.0018","860.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenyl- 1H-pyrazole","","- C19 H16 Cl N5 O2 -","- C19 H16 Cl N5 O2 -","- C38 H32 Cl2 N10 O4 -","2","1","SK1888","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-1-phenyl-1<i>H</i>-pyrazole: a chain of fused hydrogen-bonded rings","Acta Crystallographica Section C","2006","62","1","o30","o32","10.1107/S0108270105038023","","","0.71073","MoKα","","0.0589","0.0396","","","0.0925","0.1022","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014390","4.5664","0.0004","18.727","0.002","10.8416","0.001","90","","101.787","0.006","90","","907.57","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3,5-dinitrobenzoate","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.101","0.0577","","","0.1531","0.1744","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014391","9.7037","0.0003","5.7152","0.0002","20.4739","0.0009","90","","95.504","0.002","90","","1130.22","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 3,5-dinitrobenzoate","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C40 H40 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0532","0.0385","","","0.0957","0.1045","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014392","20.8531","0.0005","20.8531","0.0005","6.0377","0.0002","90","","90","","90","","2625.5","0.12","120","2","120","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Benzyl 3,5-dinitrobenzoate?","","- C14 H10 N2 O6 -","- C14 H10 N2 O6 -","- C112 H80 N16 O48 -","8","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0581","0.0432","","","0.0958","0.103","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014393","9.4416","0.0009","9.4416","0.0009","20.213","0.004","90","","90","","90","","1801.9","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","glycine trichloroacetate","Glycinium trichloroacetate","","- C4 H6 Cl3 N O4 -","- C4 H6 Cl3 N O4 -","- C32 H48 Cl24 N8 O32 -","8","2","SK1890","Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R.","Glycinium trichloroacetate","Acta Crystallographica Section C","2006","62","2","o71","o72","10.1107/S0108270105040953","","","0.71073","MoKα","","0.0899","0.0451","","","0.1247","0.1454","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014394","11.2405","0.0002","18.8738","0.0003","21.0529","0.0003","90","","90","","90","","4466.39","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione","","- C26 H18 Cl3 N O2 -","- C26 H18 Cl3 N O2 -","- C208 H144 Cl24 N8 O16 -","8","1","SK1891","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","1","o39","o41","10.1107/S0108270105039193","","","0.71073","MoKα","","0.0624","0.0421","","","0.1036","0.1156","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014395","5.5718","0.0005","13.4573","0.0017","5.7875","0.0005","90","","109.984","0.006","90","","407.83","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-1,3,4-thiadiazole","","- C2 H3 N3 S -","- C2 H3 N3 S -","- C8 H12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0656","0.0384","","","0.0935","0.102","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014396","9.1082","0.0012","6.9373","0.001","10.8048","0.0014","90","","116.656","0.009","90","","610.15","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-trifluoromethyl-1,3,4-thiadiazole","","- C3 H2 F3 N3 S -","- C3 H2 F3 N3 S -","- C12 H8 F12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0633","0.0452","","","0.1048","0.1127","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014397","6.6765","0.0004","19.7961","0.0013","9.0675","0.0005","90","","113.595","0.004","90","","1098.25","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Nitrophenylaminocarbonyl)propionic acid","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","SK1893","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(36) rings","Acta Crystallographica Section C","2006","62","1","o45","o46","10.1107/S0108270105040229","","","0.71073","MoKα","","0.0765","0.0435","","","0.1046","0.115","","","","","","0.913","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014398","6.4224","0.0003","7.2115","0.0005","23.6073","0.0016","90","","90","","90","","1093.38","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","SK1894","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K","Acta Crystallographica Section C","2006","62","1","o47","o49","10.1107/S0108270105040230","","","0.71073","MoKα","","0.0627","0.0538","","","0.138","0.1479","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014399","10.131","0.0003","17.2172","0.0006","14.4288","0.0005","90","","103.957","0.002","90","","2442.48","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde benzoylhydrazone","","- C14 H10 F2 N2 O -","- C14 H10 F2 N2 O -","- C112 H80 F16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.0967","0.0527","","","0.1137","0.1303","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014400","10.5093","0.0005","17.6499","0.0009","14.7982","0.0005","90","","104.732","0.002","90","","2654.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dichlorobenzaldehyde benzoylhydrazone","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.1182","0.061","","","0.1343","0.155","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014401","16.0941","0.0005","5.5573","0.0002","15.2495","0.0005","90","","96.2994","0.0017","90","","1355.68","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0607","0.0442","","","0.1146","0.1243","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014402","7.9401","0.0002","8.8642","0.0003","11.3717","0.0004","68.771","0.0017","85.792","0.002","72.214","0.002","709.77","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C14 H13 N5 O2 S -","- C14 H13 N5 O2 S -","- C28 H26 N10 O4 S2 -","2","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0662","0.0425","","","0.096","0.1064","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014403","28.007","0.002","7.6637","0.0006","13.3083","0.001","90","","93.937","0.004","90","","2849.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Racemic cis-methoxobis(2-methyl-3-oxo-4H-pyran-4-olato)oxovanadium(V)","","- C13 H13 O8 V -","- C13 H13 O8 V -","- C104 H104 O64 V8 -","8","1","SK1897","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Racemic <i>cis</i>-methoxobis(2-methyl-3-oxo-4<i>H</i>-pyran-4-olato)oxovanadium(V) redetermined at 120K: hydrogen-bonded ribbons containing <i>R</i>~2~^2^(7), <i>R</i>~2~^2^(14) and <i>R</i>~4~^4^(18) rings","Acta Crystallographica Section C","2006","62","3","m116","m118","10.1107/S0108270106003404","","","0.71073","MoKα","","0.1311","0.069","","","0.1344","0.1578","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014404","7.7824","0.0002","8.9623","0.0003","10.5078","0.0004","90","","95.261","0.002","90","","729.81","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine","","- C5 H9 N5 S -","- C5 H9 N5 S -","- C20 H36 N20 S4 -","4","1","SK1899","Cobo, Justo; Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Low, John N.; Glidewell, Christopher","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: π-stacked hydrogen-bonded sheets of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(10) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2006","62","3","o142","o144","10.1107/S0108270106003805","","","0.71073","MoKα","","0.0315","0.0285","","","0.0711","0.0729","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014405","17.859","0.002","17.994","0.002","8.692","0.001","90","","90","","90","","2793.2","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraethylammonium bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodocadmate(II)","","- C18 H40 Cd I N3 S4 -","- C18 H40 Cd I N3 S4 -","- C72 H160 Cd4 I4 N12 S16 -","4","0.5","SK3001","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Tetraethylammonium bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocadmate(II)","Acta Crystallographica Section C","2006","62","3","m95","m97","10.1107/S010827010600206X","","","0.71073","MoKα","","0.0564","0.0542","","","0.1162","0.1175","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014406","9.654","0.002","7.769","0.002","5.5692","0.0014","90","","90","","90","","417.7","0.17","174","2","174","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethyldithiocyanatotin(IV)","","- C4 H6 N2 S2 Sn -","- C4 H6 N2 S2 Sn -","- C8 H12 N4 S4 Sn2 -","2","0.25","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0096","0.009","","","0.0223","0.0224","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014407","14.449","0.004","5.5526","0.0014","12.66","0.003","90","","90","","90","","1015.7","0.5","174","2","174","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyltindithiocyanatotin(IV)","","- C6 H10 N2 S2 Sn -","- C6 H10 N2 S2 Sn -","- C24 H40 N8 S8 Sn4 -","4","0.5","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0147","0.0137","","","0.0323","0.0327","","","","","","1.16","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014408","9.0642","0.0003","10.273","0.0003","12.1188","0.0004","108.051","0.017","98.741","0.002","107.517","0.002","985.03","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim picolinate","5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-d-aminopyrimidin-1-ium pyridine-2-carboxylate","","- C20 H23 N5 O5 -","- C20 H23 N5 O5 -","- C40 H46 N10 O10 -","2","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0613","0.0506","","","0.1322","0.1408","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014409","15.7666","0.0004","8.798","0.0001","18.5038","0.0004","90","","102.74","0.001","90","","2503.56","0.09","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","2-amino-4,6-dimethylpyrimidin-1-ium pyridine-2-carboxylate hemihydrate","","- C12 H15 N4 O2.5 -","- C12 H15 N4 O2.5 -","- C96 H120 N32 O20 -","8","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0641","0.0601","","","0.1382","0.143","","","","","","1.255","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014410","10.7871","0.0004","11.8221","0.0004","12.7061","0.0005","91.609","0.002","90.39","0.002","92.774","0.002","1617.77","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-diphenylphosphinato-κ^2^O:O')bis[aqua(diphenylphosphinato- κO)bis(pyridine-κN)cobalt(II)]","","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","1","0.5","SQ1241","Liange de Oliveira Diehl; Márcia R. Siqueira; Robert A. Burrow","Bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(diphenylphosphinato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","2006","62","2","m67","m69","10.1107/S0108270106000680","","","0.71073","MoKα","","0.0565","0.0337","","","0.0843","0.091","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014411","16.7069","0.0007","7.8826","0.0003","21.2218","0.0008","90","","104.129","0.001","90","","2710.23","0.18","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","","- C38 H32 -","- C38 H32 -","- C152 H128 -","4","1","SQ3001","Sui, Yongqiang; Barnes, Charles; Glaser, Rainer","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","Acta Crystallographica Section C","2006","62","2","o98","o100","10.1107/S0108270106000023","","","0.71073","MoKα","","0.0635","0.0445","","","0.1047","0.1135","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014412","6.3525","0.0008","9.0459","0.0011","10.3907","0.0012","84.282","0.002","72.332","0.002","89.558","0.002","565.94","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(4-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0361","0.0351","","","0.0965","0.0971","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014413","6.8637","0.0011","8.6257","0.0014","9.9497","0.0016","80.536","0.003","73.444","0.003","77.31","0.003","547.57","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(3-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0711","0.054","","","0.115","0.1249","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014414","11.9816","0.001","12.5387","0.0013","6.4407","0.001","90","","114.621","0.008","90","","879.64","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium dimanganese aluminium tris(phosphate)","","- Al0.85 Mn2.48 Na1.5 O12 P3 -","- Al0.854 Mn2.435 Na1.51 O12 P3 -","- Al3.416 Mn9.74 Na6.04 O48 P12 -","4","0.5","TA1500","Hatert, Frédéric","Na~1.50~Mn~2.48~Al~0.85~(PO~4~)~3~, a new synthetic alluaudite-type compound","Acta Crystallographica Section C","2006","62","1","i1","i2","10.1107/S0108270105037236","","","0.71073","MoKα","","0.0403","0.0317","","","0.0717","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014415","16.492","0.003","16.804","0.003","24.519","0.005","90","","109.07","0.03","90","","6422","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetato-μ-{2-[N,N-bis(2-pyridylmethyl)aminomethyl]-6-[N-(3,5-di-tert- butyl-2-oxidobenzyl)-N-(2-pyridylmethylamino)amino]-4- methylphenolato}dimanganese(II,III) tetraphenylborate","","- C70 H75 B Mn2 N5 O6 -","- C70 H75 B Mn2 N5 O6 -","- C280 H300 B4 Mn8 N20 O24 -","4","1","TA1508","Bortoluzzi, Adailton J.; Neves, Ademir; Couto, Ricardo A. A.; Peralta, Rosely A.","A mixed-valence diacetate-bridged Mn^II^‒Mn^III^ complex incorporating a bridging phenolate ligand","Acta Crystallographica Section C","2006","62","2","m27","m29","10.1107/S0108270105039910","","","0.71073","MoKα","","0.202","0.0522","","","0.1087","0.1272","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014416","17.263","0.002","7.5673","0.0007","10.4757","0.0008","90","","93.128","0.008","90","","1366.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-amino-2-(2-O-methyl-β-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","1","TR1128","Zhang, Xiaomei; Budow, Simone; Leonard, Peter; Eickmeier, Henning; Seela, Frank","<i>N</i>^8^-(2'-<i>O</i>-Methylribofuranosyl)-8-aza-7-deazaadenine monohydrate","Acta Crystallographica Section C","2006","62","2","o79","o81","10.1107/S0108270105041983","","","0.71073","MoKα","","0.0371","0.0359","","","0.1064","0.1077","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014417","11.895","0.002","13.124","0.002","15.564","0.003","90","","104.66","0.02","90","","2350.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI)","Dichloro(dimethoxyethano)bis(para-toluenesulfonimino-N)molybdenum(VI)","","- C18 H24 Cl2 Mo N2 O6 S2 -","- C18 H24 Cl2 Mo N2 O6 S2 -","- C72 H96 Cl8 Mo4 N8 O24 S8 -","4","1","TY1010","Rufanov, Konstantin A.; Ziemer, Burkhard","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI), a versatile nitrene transfer reagent","Acta Crystallographica Section C","2006","62","2","m54","m55","10.1107/S0108270105042484","","","0.71073","MoKα","","0.0402","0.0307","","","0.0677","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014418","22.749","0.004","9.5867","0.0015","7.9484","0.0014","90","","99.787","0.005","90","","1708.2","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[cadmium(II)-μ~2~-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-di-μ~2~- thiocyanato]","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C56 H48 Cd4 N32 S8 -","4","0.5","TY1011","Bao-Zong Li; Xun-Gao Liu; Yan-Fen Peng; Bao-Long Li; Yong Zhang","A novel three-dimensional cadmium(II) coordination polymer incorporating 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2006","62","2","m41","m44","10.1107/S0108270105042125","","","0.71073","MoKα","","0.0252","0.0227","","","0.0549","0.0562","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015222","8.9527","0.0012","10.7737","0.0014","16.977","0.002","74.525","0.002","78.926","0.002","70.318","0.002","1476.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II)","","- C21 H42 Fe N10 O3 -","- C21 H42 Fe N10 O3 -","- C42 H84 Fe2 N20 O6 -","2","1","AV1254","Ai-Hua Yuan; Xiao-Ping Shen; Hu Zhou","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) dihydrate: a supramolecular compound constructed by hydrogen bonds","Acta Crystallographica Section C","2006","62","4","m161","m162","10.1107/S0108270105035146","","","0.71073","MoKα","","0.0899","0.0575","","","0.1192","0.1261","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015223","27.066","0.002","12.4657","0.0011","21.3066","0.0019","90","","125.889","0.001","90","","5824","0.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tris(cyclohexane-1,2-diamine-κ^2^N,N')cobalt pentachloroplumbate sesquihydrate, [Co(C~6~H~14~N~2~)~3~][PbCl~5~].1.5H~2~O","","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C144 H360 Cl40 Co8 N48 O12 Pb8 -","8","1","AV1278","Kalf, Irmgard; Englert, Ulli","The first salt of an isolated pentachloroplumbate(II) trianion","Acta Crystallographica Section C","2006","62","4","m129","m131","10.1107/S010827010600429X","","","0.71073","MoKα","","0.0335","0.0263","","","0.047","0.0479","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015224","11.6191","0.001","6.1749","0.0005","12.0431","0.001","90","","113.394","0.002","90","","793.03","0.12","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4- isopropyloxazolidin-2-one","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","AV1281","Hwang, In-Chul; Jang, Jung Hee; Kim, Taek Hyeon; Ha, Kwang","(4<i>S</i>)-3-[(2<i>R</i>,3<i>S</i>)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4-isopropyloxazolidin-2-one","Acta Crystallographica Section C","2006","62","4","o196","o198","10.1107/S0108270106004884","","","0.71073","MoKα","","0.1064","0.0404","","","0.0519","0.0614","","","","","","0.817","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015225","14.3475","0.0012","14.3475","0.0012","14.3475","0.0012","90","","90","","90","","2953.4","0.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]magnesium(II) chloroform disolvate","","- C20 H22 B2 Cl6 Mg N12 -","- C20 H22 B2 Cl6 Mg N12 -","- C80 H88 B8 Cl24 Mg4 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0612","0.0597","","","0.1229","0.1236","","","","","","1.222","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015226","14.6697","0.0009","14.6697","0.0009","14.6697","0.0009","90","","90","","90","","3156.9","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate","","- C20 H22 B2 Ca Cl6 N12 -","- C20 H22 B2 Ca Cl6 N12 -","- C80 H88 B8 Ca4 Cl24 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0521","0.0514","","","0.1082","0.1085","","","","","","1.308","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015227","7.898","0.005","8.4607","0.0019","13.587","0.002","90","","90","","90","","907.9","0.6","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclopentanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.4]nonane-2,4-dithione","","- C7 H10 N2 S2 -","- C7 H10 N2 S2 -","- C28 H40 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0849","0.0509","","","0.1118","0.1257","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015228","8.6896","0.001","12.2674","0.0015","9.7864","0.001","90","","109.86","0.09","90","","981.2","0.6","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclohexanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.5]decane-2,4-dithione","","- C8 H12 N2 S2 -","- C8 H12 N2 S2 -","- C32 H48 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0428","0.0364","","","0.0971","0.1015","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015229","7.4041","0.0014","17.859","0.004","8.4491","0.0014","90","","105.848","0.019","90","","1074.8","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cycloheptanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.6]undecane-2,4-dithione","","- C9 H14 N2 S2 -","- C9 H14 N2 S2 -","- C36 H56 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.048","0.0337","","","0.0842","0.0914","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015230","8.484","0.002","11.5018","0.0018","23.992","0.01","90","","90","","90","","2341.2","1.2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclooctanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.7]dodecane-2,4-dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.1007","0.0571","","","0.1463","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015231","6.202","0.001","9.192","0.002","19.294","0.004","90","","90","","90","","1099.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(glycine) lithium chromate monohydrate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H12 Cr Li2 N2 O9 -","- C4 H12 Cr Li2 N2 O9 -","- C16 H48 Cr4 Li8 N8 O36 -","4","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0232","0.022","","","0.0602","0.061","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015232","5.1924","0.001","7.7339","0.0015","12.492","0.003","90","","94.28","0.03","90","","500.25","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(glycine) lithium molybdate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H10 Li2 Mo N2 O8 -","- C4 H10 Li2 Mo N2 O8 -","- C8 H20 Li4 Mo2 N4 O16 -","2","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0159","0.0157","","","0.0402","0.0404","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015233","9.595","0.002","8.267","0.002","26.35","0.005","90","","90","","90","","2090.1","0.8","295","2","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene","","- C20 H28 O4 S2 -","- C20 H28 O4 S2 -","- C80 H112 O16 S8 -","4","0.5","FA1181","Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene","Acta Crystallographica Section C","2006","62","4","o155","o156","10.1107/S0108270106004999","","","0.71073","MoKα","","0.1014","0.0355","","","0.0897","0.1045","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015234","13.0444","0.0005","13.0444","0.0005","17.8599","0.0009","90","","90","","90","","3039","0.2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","catena-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","","- C18 H44 Cd Fe N11 O4 -","- C18 H44 Cd Fe N11 O4 -","- C72 H176 Cd4 Fe4 N44 O16 -","4","0.5","FA3001","Miroslava Maĺarová; Juraj Černák; Werner Massa","One-dimensional structure of <i>catena</i>-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","Acta Crystallographica Section C","2006","62","4","m119","m121","10.1107/S0108270106003453","","","0.71073","MoKα","","0.0239","0.023","","","0.0626","0.0631","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015235","10.8858","0.0003","9.953","0.0002","13.3275","0.0003","90","","95.0178","0.0015","90","","1438.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^O:O':O''] trihydrate]","","- C6 H17 N O13 U -","- C6 H16 N O13 U -","- C24 H64 N4 O52 U4 -","4","1","FA3002","Grigoriev, Mikhail S.; Den Auwer, Christophe; Meyer, Daniel; Moisy, Philippe","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] trihydrate]","Acta Crystallographica Section C","2006","62","4","m163","m165","10.1107/S0108270106006949","","","0.71073","MoKα","","0.0463","0.029","","","0.0563","0.0613","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015236","3.7747","0.0002","10.8587","0.0005","11.9519","0.0006","99.626","0.003","97.726","0.003","95.515","0.003","475.07","0.04","215","2","215","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridinium 2,5-dicarboxybenzene-1,4-dicarboxylate 1.8-hydrate","","- C20 H17.6 N2 O9.8 -","- C20 H17.596 N2 O9.798 -","- C20 H17.596 N2 O9.798 -","1","0.5","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.302","neutron","","0.046","0.0362","","","0.0763","0.0805","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015237","12.009","0.001","15.484","0.001","15.221","0.001","90","","112.273","0.003","90","","2619.1","0.3","20","2","20","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridinium bis(2,4,5-tricarboxylbenzoate)","","- C30 H20 N2 O16 -","- C30 H20 N2 O16 -","- C120 H80 N8 O64 -","4","1","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.3108","neutron","","0.0221","0.0217","","","0.0478","0.048","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015238","9.4503","0.0006","16.8493","0.001","16.8539","0.001","90","","95.815","0.002","90","","2669.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-oxalato-κ^2^O^1^,O^2^:κ^2^O^1'^,O^2'^-bis[(η^6^-p- cymene)(triphenylphosphine-κP)ruthenium(II)] bis(tetrafluoroborate)","","- C58 H58 B2 F8 O4 P2 Ru2 -","- C58 H58 B2 F8 O4 P2 Ru2 -","- C116 H116 B4 F16 O8 P4 Ru4 -","2","0.5","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.065","0.0356","","","0.0684","0.0818","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015239","7.8754","0.0005","9.0005","0.0006","13.6905","0.0009","98.647","0.002","106.062","0.002","90.165","0.002","920.92","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-p-cymene)(oxalato-κ^2^O,O')(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)","","- C19 H19 N O8 Ru -","- C19 H19 N O8 Ru -","- C38 H38 N2 O16 Ru2 -","2","1","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.0333","0.0262","","","0.0576","0.061","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015240","7.032","0.001","10.419","0.002","17.017","0.003","90","","90","","90","","1246.8","0.4","288","1","288","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,2'-isopropylidenediphenol","2,2'-Isopropylidenediphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1119","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","2,2'-Isopropylidenediphenol","Acta Crystallographica Section C","2006","62","4","o162","o164","10.1107/S0108270106004070","","","1.5418","CuKα","","0.0342","0.0252","","","0.067","0.0714","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015241","8.022","0.003","13.193","0.004","14.893","0.004","69.06","0.03","81.29","0.02","80.6","0.03","1444.9","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride","","- C13 H13 Cl2 N3 O -","- C13 H13 Cl2 N3 O -","- C52 H52 Cl8 N12 O4 -","4","2","GD1429","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","<i>N</i>-Phenyl-<i>N</i>'-pyridylureas: stereochemical basis for anticonvulsant activity","Acta Crystallographica Section C","2006","62","4","o190","o192","10.1107/S0108270106005543","","","1.54178","CuKα","","0.0601","0.0428","","","0.1229","0.1344","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015242","7.788","0.002","16.596","0.003","27.986","0.003","90","","90","","90","","3617.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-phthaloyl-β-alaninate N-phthaloyl-β-alanine","","- C43 H40 N4 O10 -","- C43 H40 N4 O10 -","- C172 H160 N16 O40 -","4","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.0715","0.0514","","","0.0927","0.1001","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015243","11.527","0.002","7.669","0.0013","19.5","0.003","90","","94.832","0.014","90","","1717.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-phthaloyl-β-alaninate 5.67-hydrate","","- C34 H46.34 N3 O13.67 -","- C34 H46.34 N3 O13.67 -","- C68 H92.68 N6 O27.34 -","2","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.1504","0.0776","","","0.0935","0.1143","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015244","32.6249","0.0008","7.0657","0.0002","23.516","0.0008","90","","100.292","0.0009","90","","5333.6","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-methoxycarbonylphenyl)porphyrin","Tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoate","","- C63.42 H47.52 N5.9 O11.81 -","- C63.424 H47.52 N5.904 O11.808 -","- C253.696 H190.08 N23.616 O47.232 -","4","0.5","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.1084","0.0569","","","0.1329","0.1581","","","","","","1.016","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015245","17.4965","0.0004","18.2617","0.0002","19.0558","0.0004","90","","90","","90","","6088.6","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II)","","- C57 H41 N5 O8 Zn -","- C57 H41 N5 O8 Zn -","- C228 H164 N20 O32 Zn4 -","4","1","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.0946","0.0525","","","0.1185","0.1307","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015246","8.8634","0.0004","12.639","0.0006","12.8768","0.0006","89.182","0.001","89.913","0.001","86.941","0.001","1440.31","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","","- C8 H28 N4 O18 P6 Zn5 -","- C8 H28 N4 O18 P6 Zn5 -","- C16 H56 N8 O36 P12 Zn10 -","2","1","GD3006","Harrison, William T. A.","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","Acta Crystallographica Section C","2006","62","4","m156","m158","10.1107/S0108270106007657","","","0.71073","MoKα","","0.0812","0.0404","","","0.0687","0.0766","","","","","","0.902","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015247","15.2414","0.0002","22.643","0.0009","8.3783","0.0005","90","","90","","90","","2891.4","0.2","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride","","- C13 H10 Cl2 N4 O4 -","- C13 H10 Cl2 N4 O4 -","- C104 H80 Cl16 N32 O32 -","8","","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0331","0.0299","","","0.0718","0.0741","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015248","7.4534","0.0002","22.1762","0.0006","8.1006","0.0002","90","","96.489","0.0016","90","","1330.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-3,5-dinitrobenzoyl-N'-isonicotinoylhydrazine","","- C13 H9 N5 O6 -","- C13 H9 N5 O6 -","- C52 H36 N20 O24 -","4","1","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0411","0.0369","","","0.0955","0.0987","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015249","7.555","0.002","11.531","0.003","26.492","0.008","90","","90","","90","","2307.9","1.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine tetrahydrate","2,3-dimethoxystrychnidin-10-one‒water (1/4)","","- C23 H34 N2 O8 -","- C23 H34 N2 O8 -","- C92 H136 N8 O32 -","4","1","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0592","0.0429","","","0.0792","0.0838","","","","","","0.892","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015250","23.351","0.005","12.2","0.003","16.972","0.004","90","","96.202","0.004","90","","4806.7","1.9","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 5.25-hydrate","2,3-dimethoxystrychnidin-10-one‒water (1/5.25)","","- C23 H36.5 N2 O9.25 -","- C23 H36.5 N2 O9.25 -","- C184 H292 N16 O74 -","8","2","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0753","0.0655","","","0.1659","0.1729","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015251","8.0818","0.0016","11.129","0.002","11.626","0.002","67.56","0.03","74.48","0.03","69.55","0.03","894.6","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","diaqua(pyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)indium(II) trihydrate, [In(C~6~H~4~NO~2~)(C~7~H~3~NO~4~)(H~2~O)~2~].3H~2~O","","- C13 H17 In N2 O11 -","- C13 H17 In N2 O11 -","- C26 H34 In2 N4 O22 -","2","1","GZ3002","Chun-Bo Liu; Guang-Bo Che; Chuan-Bi Li; Yun-Cheng Cui","An indium(III)‒water chain based on an unusual acyclic water pentamer","Acta Crystallographica Section C","2006","62","4","m153","m155","10.1107/S0108270106007189","","","0.71073","MoKα","","0.0347","0.0276","","","0.0549","0.0566","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015252","12.875","0.003","6.153","0.002","18.268","0.004","90","","106.031","0.016","90","","1390.9","0.6","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamolide-3β-ol hemihydrate","3β-Hydroxy-7-drimen-12,11-olide hemihydrate","","- C30 H46 O7 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","2","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.083","0.049","","","0.1","0.112","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015253","6.802","0.003","7.918","0.004","14.302","0.008","90","","101.22","0.02","90","","755.6","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","cinnamolide-3β-ol-acetate","3β-Acetoxy-7-drimen-12,11-olide","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.109","0.051","","","0.09","0.108","","","","","","0.982","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015254","13.874","0.002","7.531","0.001","13.615","0.002","90","","122.94","0.02","90","","1193.9","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","","- C6 H12 Ca Co O12 -","- C6 H12 Ca Co O12 -","- C24 H48 Ca4 Co4 O48 -","4","0.5","HJ1082","Djeghri Assia; Balegroune, Fadila; Guehria Laidoudi, Achoura; Toupet, Loic","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","Acta Crystallographica Section C","2006","62","4","m126","m128","10.1107/S0108270106003866","","","0.71073","MoKα","","0.0244","0.0195","","","0.0486","0.05","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015255","16.3722","0.0011","10.4506","0.0005","11.3239","0.0007","90","","99.18","0.005","90","","1912.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(3-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.068","0.053","","","0.1506","0.1597","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015256","16.9333","0.0009","10.7124","0.0006","10.5476","0.0006","90","","98.966","0.004","90","","1889.92","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(4-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0823","0.0495","","","0.1198","0.1347","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015257","16.8445","0.0015","10.7259","0.0005","11.1126","0.0009","90","","106.037","0.007","90","","1929.6","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-(2,6-dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone","","- C18 H19 Cl2 N3 O5 -","- C18 H19 Cl2 N3 O5 -","- C72 H76 Cl8 N12 O20 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0692","0.046","","","0.1197","0.1322","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015258","11.5299","0.0008","8.0975","0.0004","10.8937","0.0008","90","","101.111","0.003","90","","998.01","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Di-tert-butyl ketone hydrazone","","- C9 H20 N2 -","- C9 H20 N2 -","- C36 H80 N8 -","4","1","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0427","0.0389","","","0.1021","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015259","29.1768","0.0016","11.6848","0.0007","14.3768","0.0006","90","","103.243","0.003","90","","4771.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-tert-butyl ketone triphenylphosphoranylidenehydrazone","","- C27 H33 N2 P -","- C27 H33 N2 P -","- C216 H264 N16 P8 -","8","2","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0662","0.0442","","","0.1075","0.1181","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015260","5.7355","0.0006","9.8374","0.0013","10.9428","0.0013","90","","97.856","0.009","90","","611.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-fluoro- 7H-pyrrolo[2,3-d]pyrimidine","","- C11 H12 F2 N4 O3 -","- C11 H12 F2 N4 O3 -","- C22 H24 F4 N8 O6 -","2","1","JZ3003","Seela, Frank; Chittepu, Padmaja; Eickmeier, Henning","4-Amino-7-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)-5-fluoro-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine: a bis-fluorinated analogue of 2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","4","o231","o233","10.1107/S0108270106007633","","","0.71073","MoKα","","0.0458","0.0385","","","0.0969","0.1015","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015261","10.563","0.003","23.839","0.006","7.025","0.002","90","","93.46","0.02","90","","1765.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2-Diethynylcyclohexane-1,2-diol","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","2","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0682","0.0446","","","0.0896","0.103","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015262","6.6112","0.0018","7.2474","0.0019","12.577","0.003","93.384","0.016","102.41","0.016","102.309","0.016","571.5","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-diprop-2-ynylcyclohexane-1,4-diol hydrate","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0373","0.034","","","0.0819","0.0844","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015263","13.377","0.002","6.0824","0.0008","23.834","0.003","90","","94.235","0.002","90","","1933.9","0.5","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-(5S,8S,9R,10S,13R,14R)-15-Acetoxy-15,16-dideoxy-16,17-epoxyspongian-16-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","LN3004","Blake, Alexander J.; González, Miguel A.; Gil-Gimeno, Maria J.","(‒)-(5<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>)-15,16-Dideoxy-16,17-epoxy-16-oxospongian-15-yl acetate","Acta Crystallographica Section C","2006","62","4","o208","o210","10.1107/S0108270106006366","","","0.71073","MoKα","","0.0516","0.0487","","","0.13","0.133","","","","","","0.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015264","8.36","0.01","7.292","0.008","12.95","0.005","90","","90","","90","","789.4","1.3","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Dichloro(propane-1,3-diamine-κ^2^N,N')platinum(II)","","- C3 H10 Cl2 N2 Pt -","- C3 H10 Cl2 N2 Pt -","- C12 H40 Cl8 N8 Pt4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.016","","","","0.042","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015265","8.386","0.007","7.167","0.005","12.88","0.01","90","","90","","90","","774.1","1","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","dichloro(propane-1,3-diamine-κ^2^N,N')palladium(II)","","- C3 H10 Cl2 N2 Pd -","- C3 H10 Cl2 N2 Pd -","- C12 H40 Cl8 N8 Pd4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.017","","","","0.043","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015266","8.86","0.01","8.018","0.006","12.93","0.01","90","","92.09","0.04","90","","917.9","1.4","123","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,9-diazadodecane-1,12-diamine-κ^2^N^1^,N^4^;κ^2^N^9^,N^12^- bis[dichlorodiplatinum(II)]","","- C10 H26 Cl4 N4 Pt2 -","- C10 H26 Cl4 N4 Pt2 -","- C20 H52 Cl8 N8 Pt4 -","2","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.029","","","","0.076","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015267","8.895","0.001","9.828","0.001","16.331","0.002","79.66","0.01","85.9","0.01","67.38","0.01","1296.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","","- C20 H16 Cu3 I N4 O S3 W -","- C20 H16 Cu3 I N4 O S3 W -","- C40 H32 Cu6 I2 N8 O2 S6 W2 -","2","1","OB1248","Li, Wen-Ge; Zhang, You-Cai; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","Acta Crystallographica Section C","2006","62","4","m159","m160","10.1107/S0108270106007438","","","0.71073","MoKα","","0.0413","0.0332","","","0.0766","0.0789","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015268","7.3655","0.0002","9.6851","0.0002","14.472","0.0001","93.375","0.001","99.476","0.001","102.288","0.001","990.22","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anti-2-Hydroxy-2-methyl-1-tetralone oxime","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","SF1027","Vratislav Langer; Dalma Gyepesová; Pavel Mach; Eva Scholtzová; Marta Sališová; Andrej Boháč; Boris Gášpár","<i>anti</i>-2-Hydroxy-2-methyl-1-tetralone oxime: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","4","o199","o202","10.1107/S0108270106005178","","","0.71073","MoKα","","0.1064","0.0512","","","0.0993","0.1211","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015269","7.9116","0.0007","10.487","0.001","18.2493","0.0017","86.088","0.002","79.784","0.002","70.605","0.002","1405.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","strontium ibuprofenate hydrate","poly[diaquabis[μ-2-(4-isobutylphenyl)propionato]strontium(II)]","","- C26 H38 O6 Sr -","- C26 H38 O6 Sr -","- C52 H76 O12 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.1116","0.0581","","","0.1253","0.145","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015270","14.3345","0.0009","7.3458","0.0005","11.5075","0.0007","90","","106.71","0.001","90","","1160.55","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium malonate sesquihydrate","Poly[μ-aqua-diaquadi-μ-malonato-distrontium(II)]","","- C3 H5 O5.5 Sr -","- C3 H5 O5.5 Sr -","- C24 H40 O44 Sr8 -","8","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0169","0.0158","","","0.0406","0.0413","","","","","","1.076","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2015271","6.4358","0.0005","16.104","0.0013","8.3646","0.0007","90","","107.696","0.001","90","","825.9","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Strontium diascorbate dihydrate","catena-Poly[[diaqua(ascorbato)strontium(II)]-μ-ascorbato]","","- C12 H18 O14 Sr -","- C12 H18 O14 Sr -","- C24 H36 O28 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0276","0.0253","","","0.0565","0.0573","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015272","5.0993","0.0004","22.808","0.002","6.9811","0.0006","90","","109.755","0.002","90","","764.15","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium 2-oxidobenzoate hydrate","Poly[aqua-μ-2-oxidobenzoato-strontium(II)]","","- C7 H6 O4 Sr -","- C7 H6 O4 Sr -","- C28 H24 O16 Sr4 -","4","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0475","0.0376","","","0.0878","0.092","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015273","8.0954","0.0002","11.7686","0.0006","11.0026","0.0006","90","","90","","90","","1048.23","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2'-bipyridinium thiocyanate","","- C11 H9 N3 S -","- C11 H9 N3 S -","- C44 H36 N12 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0348","0.0307","","","0.0753","0.0774","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015274","7.4139","0.0005","9.3768","0.0006","12.3694","0.0005","71.681","0.003","75.722","0.003","77.391","0.003","781.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-bipyridinium picrate","","- C16 H11 N5 O7 -","- C16 H11 N5 O7 -","- C32 H22 N10 O14 -","2","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.1044","0.0604","","","0.1063","0.1222","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015275","12.8274","0.0004","4.4774","0.0002","18.2844","0.0005","90","","100.568","0.002","90","","1032.32","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-bipyridinium hydrogensulfate","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0524","0.0436","","","0.1186","0.1219","","","","","","1.262","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015276","11.8324","0.0008","7.3549","0.0005","16.6078","0.0012","90","","102.07","0.001","90","","1413.36","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","","- C14 H20 Cu O5 -","- C14 H20 Cu O5 -","- C56 H80 Cu4 O20 -","4","1","SK3003","Xu, Denise J.; Pan, Long; Emge, Thomas J.; Huang, Xiaoying; Li, Jing","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","Acta Crystallographica Section C","2006","62","4","m150","m152","10.1107/S0108270106006846","","","0.71073","MoKα","","0.023","0.0214","","","0.0578","0.0588","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015277","7.4435","0.0003","7.8829","0.0005","16.2657","0.001","99.564","0.002","96.806","0.003","90.842","0.003","933.94","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-chloronicotinoyl)-N-(3-nitrophenyl)hydrazine monohydrate","","- C18 H13 Cl2 N5 O5 -","- C18 H13 Cl2 N5 O5 -","- C36 H26 Cl4 N10 O10 -","2","1","SK3004","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis(2-chloronicotinoyl)-<i>N</i>-(3-nitrophenyl)hydrazine monohydrate: complex sheets built from O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","4","o170","o172","10.1107/S0108270106004653","","","0.71073","MoKα","","0.0829","0.05","","","0.1069","0.12","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015278","16.0851","0.0005","7.9458","0.0003","8.0003","0.0003","90","","117.309","0.002","90","","908.55","0.06","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","7-Amino-2,5-dimethylpyrazolo[1,5-a]pyrimidine hemihydrate","","- C8 H11 N4 O0.5 -","- C8 H11 N4 O0.5 -","- C32 H44 N16 O2 -","4","1","SK3006","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine hemihydrate redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2006","62","4","o186","o189","10.1107/S0108270106005373","","","0.71073","MoKα","","0.0372","0.0335","","","0.0873","0.0897","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015279","11.667","0.0003","13.7746","0.0004","11.8897","0.0004","90","","105.433","0.0019","90","","1841.88","0.1","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2,7-dimethyl- 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C19 H19 Cl2 N O3 -","- C19 H19 Cl2 N O3 -","- C76 H76 Cl8 N4 O12 -","4","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0706","0.0487","","","0.1229","0.1391","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015280","9.4543","0.0005","9.7947","0.0006","13.446","0.0009","76.436","0.003","89.268","0.004","69.471","0.003","1130.23","0.12","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2-methyl- 7-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate monohydrate","","- C24 H23 Cl2 N O4 -","- C24 H22.758 Cl2 N O4 -","- C48 H45.516 Cl4 N2 O8 -","2","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0754","0.0533","","","0.1358","0.1498","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015281","8.9352","0.0009","6.105","0.0006","14.678","0.002","90","","96.37","0.01","90","","795.73","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Dimethylisoguanine","6-amino-1,3-dimethyl-1H-purin-2(3H)-one","","- C7 H9 N5 O -","- C7 H9 N5 O -","- C28 H36 N20 O4 -","4","1","SQ1243","Kanda Panthong; Mary J. Garson; Paul V. Bernhardt","1,3-Dimethylisoguanine","Acta Crystallographica Section C","2006","62","4","o193","o195","10.1107/S0108270106005336","","","0.71073","MoKα","","0.1217","0.0542","","","0.136","0.1662","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015282","10.7601","0.0002","11.9724","0.0002","8.9122","0.0001","90","","109.358","0.0011","90","","1083.2","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","","- C8 H15 N2 O5 P -","- C8 H15 N2 O5 P -","- C32 H60 N8 O20 P4 -","4","1","SQ3006","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","Acta Crystallographica Section C","2006","62","4","o216","o218","10.1107/S0108270106005853","","","0.71073","MoKα","","0.0303","0.0271","","","0.0681","0.0702","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015283","7.369","0.0016","8.4128","0.0018","10.716","0.002","76.124","0.004","88.754","0.004","70.758","0.004","607.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","1","0.5","AV1282","Emmanuel Ngwang Nfor; Lui Wei; Jing-Lin Zuo; Xiao-Zeng You; Offiong Efanga Offiong","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","Acta Crystallographica Section C","2006","62","5","m211","m213","10.1107/S0108270106009152","","","0.71073","MoKα","","0.069","0.0516","","","0.0862","0.091","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015284","40.703","0.006","5.097","0.0008","12.2793","0.0018","90","","103.498","0.003","90","","2477.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Diaquabis[(E)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^O,O']cadmium(II)","","- C28 H24 Cd N2 O8 -","- C28 H24 Cd N2 O8 -","- C112 H96 Cd4 N8 O32 -","4","0.5","AV3003","Yao, Shu-Qin; Zhu, Miao-Li; Lu, Li-Ping; Gao, Xiao-Li","<i>cis</i>-Diaquabis[(<i>E</i>)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^<i>O</i>,<i>O</i>']cadmium(II): two-dimensional layers built from strong O—H···O hydrogen bonding in the coordination sphere","Acta Crystallographica Section C","2006","62","5","m183","m185","10.1107/S0108270106009723","","","0.71073","MoKα","","0.0721","0.0561","","","0.1195","0.1374","","","","","","1.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015285","9.2591","0.0008","18.5282","0.0013","16.7729","0.0017","90","","104.297","0.007","90","","2788.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-2^2^,4^2^-dihydroxy-1^2^,3^2^-bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H24 O4 S4 -","- C30 H24 O4 S4 -","- C120 H96 O16 S16 -","4","1","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0762","0.0479","","","0.1125","0.1241","","","","","","0.995","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015286","8.876","0.0003","17.31","0.0005","26.0798","0.001","90","","90","","90","","4007","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene acetone disolvate","","- C36 H32 N4 O14 S4 -","- C36 H32 N4 O14 S4 -","- C144 H128 N16 O56 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0387","0.0339","","","0.0815","0.084","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015287","17.2475","0.0017","20.415","0.0019","9.102","0.001","90","","90","","90","","3204.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H20 N4 O12 S4 -","- C30 H20 N4 O12 S4 -","- C120 H80 N16 O48 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.1145","0.0926","","","0.2373","0.2565","","","","","","1.104","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015288","4.1561","0.0006","19.069","0.001","6.8369","0.0005","90","","90","","90","","541.84","0.09","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Pentaerbium trinickel trialuminum tetragermanide","pentaerbium trinickel trialuminium tetragermanium","","- Al3 Er5 Ge4 Ni3 -","- Al3 Er5 Ge4 Ni3 -","- Al6 Er10 Ge8 Ni6 -","2","0.25","BC1097","Demchenko, Pavlo; Kończyk, Joanna; Demchenko, Grigorii; Gladyshevskii, Roman; Pavlyuk, Volodymyr","Er~5~Ni~3~Al~3~Ge~4~: a quaternary variant of the NbCoB type","Acta Crystallographica Section C","2006","62","5","i29","i31","10.1107/S0108270106009255","","","1.54178","CuKα","","0.0492","0.0431","","","0.1079","0.1106","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015289","4.9199","0.0018","9.959","0.004","10.859","0.004","90","","97.513","0.005","90","","527.5","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycinium oxalate (2:1)","bis(glycinium) oxalate","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C12 H24 N4 O16 -","2","0.5","BM1626","R. Chitra; Vijay Thiruvenkatam; V. D. Alur; R. R. Choudhury; E. Ramadasen; M. V. Hosur; T. N. Guru Row","Bis(glycinium) oxalate: evidence of strong hydrogen bonding","Acta Crystallographica Section C","2006","62","5","o274","o276","10.1107/S010827010600970X","","","0.71073","MoKα","","0.0388","0.0339","","","0.0868","0.0896","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015290","13.0394","0.0013","44.781","0.003","22.8023","0.0017","90","","100.051","0.008","90","","13110.3","1.9","299","2","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV)","","- C42 H15 F20 Os P S4 -","- C42 H15 F20 Os P S4 -","- C504 H180 F240 Os12 P12 S48 -","12","3","BM1627","Mendoza, María del Consuelo; Bernès, Sylvain; Arroyo, Maribel","Tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV): a <i>Z</i>' = 3 structure with a supramolecular double-stranded backbone","Acta Crystallographica Section C","2006","62","5","m201","m204","10.1107/S0108270106011413","","","0.71073","MoKα","","0.102","0.0552","","","0.1169","0.1435","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015291","5.7748","0.0008","11.485","0.002","13.086","0.002","113.47","0.01","100.39","0.01","97.29","0.01","763.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chloroaniline)-1,2-diphenylethanone","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C40 H32 Cl2 N2 O2 -","2","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0446","0.0372","","","0.0977","0.1007","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015292","5.823","0.0008","10.069","0.001","27.316","0.003","90","","91.75","0.01","90","","1600.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-methoxyanilino)-1,2-diphenylethanone","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0544","0.043","","","0.11","0.1194","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015293","6.5812","0.0011","10.5084","0.0013","19.216","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxy-7-propynyl-7-deazaadenosine","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","FA1183","Seela, Frank; Shaikh, Khalil I.; Budow, Simone; Eickmeier, Henning","2'-Deoxy-7-propynyl-7-deazaadenosine: a DNA duplex-stabilizing nucleoside","Acta Crystallographica Section C","2006","62","5","o246","o248","10.1107/S0108270106008870","","","0.71073","MoKα","","0.0646","0.0522","","","0.1348","0.1457","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015294","15.0522","0.001","29.721","0.002","15.3753","0.001","90","","90","","90","","6878.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","racemic cis-(2,2'-bipyridyl-κ^2^N,N')oxo(pentane-2,4-dionato- κ^2^O,O')(thiocyanato-κN)vanadium(IV)","","- C16 H15 N3 O3 S V -","- C16 H15 N3 O3 S V -","- C256 H240 N48 O48 S16 V16 -","16","2","FA3005","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in racemic <i>cis</i>-(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')oxo(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section C","2006","62","5","m177","m179","10.1107/S0108270106008158","","","0.71073","MoKα","","0.0806","0.0526","","","0.1237","0.135","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015295","9.422","0.003","5.1788","0.0017","9.388","0.003","90","","94.92","0.03","90","","456.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","distrontium dicopper(II) tellurium(VI) hexaoxide dibromide","","- Br2 Cu2 O6 Sr2 Te -","- Br2 Cu2 O6 Sr2 Te -","- Br4 Cu4 O12 Sr4 Te2 -","2","0.5","FA3009","Takagi, Rie; Johnsson, Mats","Sr~2~Cu~2~TeO~6~Br~2~: honeycomb layers of copper(II) ions","Acta Crystallographica Section C","2006","62","5","i38","i40","10.1107/S0108270106013047","","","0.71073","MoKα","","0.0974","0.0497","","","0.1109","0.1263","","","","","","0.883","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015296","9.0592","0.0004","10.3156","0.0005","25.0534","0.0012","90","","90","","90","","2341.27","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","10,11-dihydrocarbamazepine","10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","1","FG3005","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.","An orthorhombic polymorph of 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2006","62","5","o240","o242","10.1107/S0108270106008651","","","0.71073","MoKα","","0.0496","0.0416","","","0.1041","0.1084","","","","","","1.085","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015297","12.3391","0.0002","7.178","0.0001","22.8065","0.0004","90","","90","","90","","2019.97","0.06","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epicandicandiol ethanol solvate","ent-7α,18-hydroxykaur-16-ene ethanol solvate","","- C22 H38 O3 -","- C22 H38 O3 -","- C88 H152 O12 -","4","1","FG3006","Linden, Anthony; Şahın, F. Pınar; Ezer, Nurten; Çalış, İhsan","<i>ent</i>-7α,18-Hydroxykaur-16-ene ethanol solvate","Acta Crystallographica Section C","2006","62","5","o253","o255","10.1107/S0108270106008638","","","0.71073","MoKα","","0.0577","0.0418","","","0.103","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015298","20.777","0.003","8.4689","0.0011","33.55","0.005","90","","90","","90","","5903.4","1.4","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo- iodoplumbate(II)-di-μ-iodo]]","","- C36 H56 I10 N4 Pb3 -","- C36 H56 I10 N4 Pb3 -","- C144 H224 I40 N16 Pb12 -","4","0.5","FG3008","Billing, David G.; Lemmerer, Andreas","<i>catena</i>-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo-iodoplumbate(II)-di-μ-iodo]]","Acta Crystallographica Section C","2006","62","5","m174","m176","10.1107/S0108270106009127","","","0.71073","MoKα","","","0.0494","","","","0.0938","","","","","","1.138","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015299","3.7965","0.0011","15.078","0.005","10.972","0.004","90","","97.082","0.006","90","","623.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-<i>trans</i>-1,2-bis(4-pyridyl)ethylene-di-μ~3~-chloro-dicopper(I)]","","- C12 H10 Cl2 Cu2 N2 -","- C12 H10 Cl2 Cu2 N2 -","- C24 H20 Cl4 Cu4 N4 -","2","0.5","FG3011","Li, Zhi-Gang; Xu, Jing-Wei; Jia, Heng-Qing; Hu, Ning-Hai","Poly[di-μ~3~-chloro-μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene-dicopper(I)]: a two-dimensional organic‒inorganic hybrid constructed from linear CuCl clusters and bridging ligands","Acta Crystallographica Section C","2006","62","5","m205","m207","10.1107/S0108270106011814","","","0.71073","MoKα","","0.0871","0.0546","","","0.1075","0.1198","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015300","8.5826","0.0012","10.5117","0.0014","13.1078","0.0017","103.902","0.002","107.988","0.002","91.639","0.002","1085","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-sulfito-κ^4^O,O':κ^4^O',O''-[2,4,6-tris(2-pyridyl)- 1,3,5-triazine-κ^3^N^2^,N^1^,N^6^]cadmium(II) octahydrate","","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","1","0.5","FG3013","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Di-μ~2~-sulfito-κ^8^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis[(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)cadmium(II)] octahydrate","Acta Crystallographica Section C","2006","62","5","m195","m198","10.1107/S0108270106012078","","","0.71073","MoKα","","0.0364","0.0332","","","0.0851","0.0881","","","","","","0.843","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015301","9.675","0.005","10.401","0.006","11.063","0.007","90","","110.86","0.03","90","","1040.3","1.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","18-deoxy-13β,14-dihydrolycoctam","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","FG3014","Benn, Michael; Parvez, Masood; Edwards, Oliver Edward","18-Deoxy-13β,14-dihydrolycoctam: the lycoctamone rearrangement confirmed","Acta Crystallographica Section C","2006","62","5","o283","o285","10.1107/S0108270106011620","","","0.71073","MoKα","","0.123","0.051","","","0.099","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015302","10.0301","0.0008","14.1408","0.0011","24.9919","0.0009","85.82","0.002","86.556","0.002","80.066","0.002","3478.2","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","μ-2,2'-bipyrimidine-1κ^2^N^1^,N1'^:2κ^2^N^3^,N^3'^- bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^O,O']terbium(III)} ethyl acetate solvate","","- C60 H38 F18 N4 O14 S6 Tb2 -","- C60 H38 F18 N4 O14 S6 Tb2 -","- C120 H76 F36 N8 O28 S12 Tb4 -","2","1","GA1121","Kirschbaum, Kristin; Fratini, Albert; Swavey, Shawn","The twinned crystal structure of μ-2,2'-bipyrimidine-1κ^2^<i>N</i>^1^,<i>N</i>^1'^:2κ^2^<i>N</i>^3^,<i>N</i>^3'^-bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']terbium(III)} ethyl acetate solvate","Acta Crystallographica Section C","2006","62","5","m186","m187","10.1107/S0108270106008389","","","0.71073","MoKα","","0.0429","0.0415","","","0.1203","0.1214","","","","","","1.177","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015303","7.55","0.005","44.57","0.07","13.791","0.008","90","","119.88","0.03","90","","4024","7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[aqua(thiosulfato-κ^2^O,S)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N,N',N'']zinc(II)] monohydrate","","- C36 H30 N12 O9 S4 Zn2 -","- C36 H30 N12 O9 S4 Zn2 -","- C144 H120 N48 O36 S16 Zn8 -","4","1","GA3004","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","Aqua(thiosulfato-κ^2^<i>O</i>,<i>S</i>)[2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]zinc(II) hemihydrate","Acta Crystallographica Section C","2006","62","5","m192","m194","10.1107/S0108270106010560","","","0.71073","MoKα","","0.1576","0.0492","","","0.0601","0.0825","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015304","17.0805","0.0018","17.0805","0.0018","9.2818","0.0015","90","","90","","90","","2707.9","0.6","298","2","298","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","trans-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole","","- C56 H48 Cd Cl2 N16 -","- C56 H48 Cd Cl2 N16 -","- C112 H96 Cd2 Cl4 N32 -","2","0.25","GD3005","Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li; Li, Li; Wang, Shu-Xia","<i>trans</i>-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole: a three-dimensional supramolecular structure built from C—H···π, N—H···Cl and N—H···N hydrogen bonds","Acta Crystallographica Section C","2006","62","5","m180","m182","10.1107/S0108270106008973","","","0.71073","MoKα","","0.0418","0.0364","","","0.0895","0.0924","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015305","46.263","0.002","46.263","0.002","7.203","0.0007","90","","90","","120","","13350.9","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","cis-Diaqua[(E)-2-(2-oxidobenzylideneamino-κO)benzoato-κO']copper(II)","","- C14 H13 Cu N O5 -","- C14 H13 Cu N O5 -","- C504 H468 Cu36 N36 O180 -","36","2","GD3011","Lu, Li-Ping; Yao, Shu-Qin; Zhu, Miao-Li","<i>cis</i>-Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzoato-κ<i>O</i>]copper(II): tubes built from O—H···O hydrogen-bonding, π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","5","m220","m222","10.1107/S0108270106013242","","","0.71073","MoKα","","0.1059","0.0716","","","0.1458","0.1602","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015306","9.4708","0.0002","10.2139","0.0002","10.7512","0.0002","105.804","0.001","99.141","0.001","116.32","0.001","848.5","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","1-cyclohexyl-6,6,8a-trimethyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0436","0.0389","","","0.1039","0.107","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015307","7.2348","0.0002","10.1212","0.0005","11.6287","0.0006","77.031","0.002","79.285","0.003","76.872","0.003","799.89","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-phenyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0561","0.0438","","","0.1108","0.1173","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015308","7.233","0.0002","9.8165","0.0003","11.6008","0.0003","78.541","0.002","78.992","0.002","77.302","0.001","778.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-(3-pyridyl)-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.043","0.0388","","","0.1013","0.1044","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015309","14.687","0.005","9.84","0.005","6.877","0.005","90","","93.836","0.005","90","","991.6","0.9","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium bromide","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C28 H36 Br4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71069","MoKα","","","0.0575","","","","0.2196","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015310","14.671","0.004","9.83","0.003","6.875","0.002","90","","93.782","0.007","90","","989.3","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium iodide","","- C7 H9 I N2 O2 -","- C7 H9 I N2 O2 -","- C28 H36 I4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71073","MoKα","","","0.0701","","","","0.1865","","","","","","0.941","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015311","8.8875","0.0003","8.991","0.0003","17.6023","0.0007","90.406","0.002","92.2227","0.0019","105.032","0.002","1357.19","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13H)-one","","- C33 H34 O2 Si -","- C33 H34 O2 Si -","- C66 H68 O4 Si2 -","2","1","GG3004","Boudebous, Amar; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, M.; Schaffner, S.","A hydrogen-bonded dimer of 13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13<i>H</i>)-one","Acta Crystallographica Section C","2006","62","5","o243","o245","10.1107/S0108270106008262","","","0.71073","MoKα","","0.0868","0.0465","","0.0968","0.0643","0.0643","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015312","7.0515","0.0007","9.0031","0.0012","11.237","0.002","90","","93.69","0.011","90","","711.91","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","GG3008","Torre, José M. de la; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-(2-Methoxy-6-oxo-1,6-dihydropyrimidin-4-yl)formamide: hydrogen-bonded sheets of centrosymmetric <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(28) rings","Acta Crystallographica Section C","2006","62","5","o256","o258","10.1107/S0108270106008663","","","0.71073","MoKα","","0.1286","0.0511","","","0.11","0.1465","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015313","13.11","0.003","13.11","0.003","38.751","0.008","90","","90","","90","","6660","3","102","","102","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dimethylammonium hydrogen diphenyldiphosphonate","","- C28 H38 N2 O10 P4 -","- C14 H19 N O5 P2 -","- C224 H304 N16 O80 P32 -","16","1","HJ1093","Courtney, Brandy H.; Juma, Booker W. O.; Watkins, Steven F.; Fronczek, Frank R.; Stanley, George G.","Symmetric hydrogen bonding in dimethylammonium hydrogen diphenyldiphosphonate","Acta Crystallographica Section C","2006","62","5","o268","o270","10.1107/S0108270106009528","","","0.71073","MoKα","","0.074","0.043","","","0.086","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015314","7.4129","0.0005","12.2875","0.0008","23.5594","0.0015","77.694","0.002","82.07","0.002","89.936","0.002","2075.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[1-(Pentafluorophenyl)ethyl]acetamide","","- C10 H8 F5 N O -","- C10 H8 F5 N O -","- C80 H64 F40 N8 O8 -","8","4","HJ3006","Guzei, Ilia A.; Gorske, Benjamin C.; Blackwell, Helen E.","<i>N</i>-[1-(Pentafluorophenyl)ethyl]acetamide","Acta Crystallographica Section C","2006","62","5","o286","o288","10.1107/S0108270106012121","","","0.71073","Mo-Kα","","0.0411","0.0308","","","0.0804","0.0892","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015315","10.741","0.002","5.567","0.001","7.497","0.001","90","","113.78","0.03","90","","410.23","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","sodium indium chromate hydrate","sodium indium(III) chromate(VI) dihydrate","","- Cr2 H4 In Na O10 -","- Cr2 H4 In Na O10 -","- Cr4 H8 In2 Na2 O20 -","2","0.25","IZ3003","Kolitsch, Uwe","NaIn(CrO~4~)~2~·2H~2~O, the first indium(III) member of the kröhnkite family","Acta Crystallographica Section C","2006","62","5","i35","i37","10.1107/S0108270106012996","","","0.71073","MoKα","","0.0292","0.0236","","","0.0571","0.0596","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015316","8.2764","0.0002","19.7124","0.0006","8.7321","0.0003","90","","115.007","0.003","90","","1291.07","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Methoxycarbonyl)phenylboronic acid","","- C8 H9 B O4 -","- C8 H9 B O4 -","- C48 H54 B6 O24 -","6","1.5","JZ3006","Lulinski, Sergiusz; Serwatowski, Janusz","2-(Methoxycarbonyl)phenylboronic acid","Acta Crystallographica Section C","2006","62","5","o301","o303","10.1107/S0108270106012297","","","0.71073","MoKα","","0.0378","0.0325","","","0.0923","0.0941","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015317","5.185","0.001","16.668","0.003","10.458","0.002","90","","101.9","0.03","90","","884.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[4-(Aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)","","- C14 H19 N5 O9 -","- C14 H19 N5 O9 -","- C28 H38 N10 O18 -","2","1","KP2003","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Argininamidium bis(hydrogensquarate)","Acta Crystallographica Section C","2006","62","5","o299","o300","10.1107/S0108270106012108","","","0.71073","MoKα","","0.074","0.0446","","","0.0911","0.0993","","","","","","1.008","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015318","10.338","0.002","12.012","0.002","12.065","0.002","90","","93.39","0.03","90","","1495.6","0.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","bis[3,6,9-trimethyl- 3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12H- pyrano[4,3-j][1,2]benzodioxepin-10-yl] ether","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","LN1194","Yue, Zheng-Yu; Li, Shu-Hui; Gao, Po; Zhang, Jin-Hui; Yan, Peng-Fei","A dimer of α- and β-dihydroartemisinin: bis(3,6,9-trimethyl-3,12-epidioxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12<i>H</i>-pyrano[4,3-<i>j</i>][1,2]benzodioxepin-10-yl) ether","Acta Crystallographica Section C","2006","62","5","o281","o282","10.1107/S0108270106009048","","","0.71073","MoKα","","0.0675","0.0582","","","0.1493","0.1557","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015319","7.1791","0.0019","13.853","0.004","20.609","0.005","90","","94.3564","0.0009","90","","2043.7","0.9","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,4'-dipentyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C20 H28 Cl2 N2 Pt -","- C20 H28 Cl2 N2 Pt -","- C80 H112 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0667","","","","0.1801","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015320","15.102","0.008","10.781","0.006","16.525","0.01","90","","112.57","0.003","90","","2484","2","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(4,4'-diheptyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C24 H36 Cl2 N2 Pt -","- C24 H36 Cl2 N2 Pt -","- C96 H144 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0409","","","","0.1151","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015321","18.138","0.004","9.589","0.0019","14.245","0.003","90","","105.3","0.03","90","","2389.8","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[trisilver(I)-di-μ~3~-N,N-diethyldithiocarbamato- 3'κ<i>S</i>:1κ<i>S</i>':2κ<i>S</i>;1κ<i>S</i>:2κ<i>S</i>':3κ<i>S</i>- μ~4~-N,N-diethyldithiocarbamato- 2κ<i>S</i>:3κ^2^<i>S</i>,<i>S</i>':1'κ<i>S</i>']","","- C15 H30 Ag3 N3 S6 -","- C15 H30 Ag3 N3 S6 -","- C60 H120 Ag12 N12 S24 -","4","0.5","OB3001","Yan-Wei Song; Zhan Yu; Qian-Feng Zhang","γ-Modification of poly[(<i>N</i>,<i>N</i>-diethyldithiocarbamato)silver(I)]","Acta Crystallographica Section C","2006","62","5","m214","m216","10.1107/S0108270106006688","","","0.71073","MoKα","","0.0405","0.0335","","","0.0763","0.0793","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015322","5.379","0.005","9.218","0.002","9.794","0.002","90","","92.28","0.04","90","","485.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","morpholine-2,5-dione","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","OB3002","Martínez-Palau, Meritxell; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Morpholine-2,5-dione","Acta Crystallographica Section C","2006","62","5","o262","o264","10.1107/S0108270106010079","","","0.71073","MoKα","","0.0594","0.044","","","0.1187","0.1296","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015323","7.5388","0.0011","8.9545","0.0013","12.1647","0.0018","80.005","0.002","85.968","0.002","83.504","0.002","802.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(dipropylamino)ethyl]-2,3-dihydro-1H-indol-2-ol hydrochloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ2022","Krishnan Ravikumar; Balasubramanian Sridhar","Ropinirole hydrochloride, a dopamine agonist","Acta Crystallographica Section C","2006","62","5","o265","o267","10.1107/S0108270106010535","","","0.71073","MoKα","","0.0397","0.0368","","","0.0994","0.1014","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015324","16.9402","0.0016","18.6388","0.0018","17.2684","0.0016","90","","110.679","0.007","90","","5101.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~6~-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane- 2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide pyrazine solvate","","- C47 H115 Cu8 N11 O41 Si16 -","- C47 H115 Cu8 N11 O41 Si16 -","- C94 H230 Cu16 N22 O82 Si32 -","2","0.5","SK3009","Zherlitsyna, Larissa; Auner, Norbert; Bolte, Michael","Bis(μ~6~-<i>cis</i>-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule","Acta Crystallographica Section C","2006","62","5","m199","m200","10.1107/S0108270106008924","","","0.71073","MoKα","","0.0866","0.0387","","","0.0613","0.0688","","","","","","0.743","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015325","9.6108","0.0001","9.6349","0.0001","30.6453","0.0003","90","","90","","90","","2837.73","0.05","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II)","","- C22 H43 Cl3 Fe N6 -","- C22 H43 Cl3 Fe N6 -","- C88 H172 Cl12 Fe4 N24 -","4","1","SK3010","Petrovic, Dejan; Tamm, Matthias; Herdtweck, Eberhardt","Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylideneamine)iron(II)","Acta Crystallographica Section C","2006","62","5","m217","m219","10.1107/S0108270106008778","","","0.71073","MoKα","","0.0285","0.0247","","","0.0534","0.0547","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015326","7.3497","0.0002","12.8535","0.0003","14.5334","0.0004","109.976","0.001","94.028","0.001","92.551","0.001","1283.73","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Benzyl 4-chloro-3-nitrobenzoate","","- C14 H10 Cl N O4 -","- C14 H10 Cl N O4 -","- C56 H40 Cl4 N4 O16 -","4","2","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0481","0.0379","","","0.0939","0.1002","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015327","6.1574","0.0006","7.4487","0.0006","26.341","0.003","90","","93.362","0.003","90","","1206","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl 4-nitrobenzoate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0833","0.0553","","","0.1241","0.1381","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015328","7.4885","0.0007","9.5175","0.0008","16.8193","0.0013","90","","91.067","0.007","90","","1198.53","0.18","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4S,SFc)-4-(methoxymethyl)-2-[(2-dibenzo-1-thio-1H-1λ^5^- phosphol-1-yl)ferrocenyl]-1,3-dioxane","","- C28 H27 Fe O3 P S -","- C28 H27 Fe O3 P S -","- C56 H54 Fe2 O6 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0299","0.0273","","","0.0652","0.0664","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015329","7.111","0.0013","12.862","0.003","10.223","0.002","90","","96.73","0.02","90","","928.6","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(SFc)-[2-(2-dibenzo-1-thio-1H-1λ^5^-phosphol-1-yl)ferrocenyl]methanol","","- C23 H19 Fe O P S -","- C23 H19 Fe O P S -","- C46 H38 Fe2 O2 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0288","0.0256","","","0.0596","0.0608","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015330","10.9693","0.001","11.0436","0.001","22.678","0.002","90","","90","","90","","2747.2","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(SFc)-diphenylphosphino-[2-(2-dibenzo-1H-1λ^5^-phospholyl)ferrocen-1- yl]methane","","- C35 H28 Fe P2 -","- C35 H28 Fe P2 -","- C140 H112 Fe4 P8 -","4","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.1212","0.0573","","","0.1034","0.1255","","","","","","0.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015331","11.735","0.003","9.263","0.003","15.34","0.002","90","","106.18","0.03","90","","1601.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(o-Carboxybenzoyl)-L-leucine methyl ester","2-{[(1S)-1-(methoxycarbonyl)-3-methylbutyl]aminocarbonyl}benzoic acid","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","2","SQ1242","Onofrio, Alvaro B.; Jäger, Eliezer; Brandão, Tiago A. S.; Bortoluzzi, Adailton J.; Nome, Faruk","<i>N</i>-(2-Carboxybenzoyl)-<small>L</small>-leucine methyl ester","Acta Crystallographica Section C","2006","62","5","o237","o239","10.1107/S0108270106006767","","","0.71073","MoKα","","0.1545","0.0603","","","0.1558","0.1923","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015332","7.378","0.003","23.875","0.006","23.984","0.006","90","","90","","90","","4225","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.1301","0.0748","","","0.1317","0.1479","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015333","15.332","0.004","7.993","0.002","17.235","0.004","90","","104.06","0.03","90","","2048.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C96 H80 Cl8 N16 -","4","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.079","0.0568","","","0.1346","0.1454","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015334","8.915","0.005","8.095","0.004","10.572","0.006","90","","116","0.02","90","","685.7","0.7","153","","153","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[diamminehexa-μ-cyano-dicopper(I)copper(II)mercury(II)]","","- C6 H6 Cu3 Hg N8 -","- C6 H6 Cu3 Hg N8 -","- C12 H12 Cu6 Hg2 N16 -","2","0.25","SQ3012","Nishikiori, Shin-ichi; Sekiya, Ryo; Hosoya, Kazumasa","Cu~3~(CN)~4~(NH~3~)~2~Hg(CN)~2~: a novel interpenetrating framework formed from Cu^I^, Cu^II^, Hg^II^ and cyanide bridges","Acta Crystallographica Section C","2006","62","5","i32","i34","10.1107/S0108270106011711","","","0.71075","MoKα","","0.0301","0.0301","","","0.0853","0.0853","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015335","10.4178","0.0002","10.6996","0.0002","24.6636","0.0005","90","","90","","90","","2749.16","0.09","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-Thr(OBn)-Aib-N(Me)Ph","O-benzyl-N-(benzyloxycarbonyl)threonyl-2,N-dimethylalaninanilide","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0497","0.0374","","","0.0831","0.0897","","","","","","1.072","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015336","6.2705","0.0001","9.7577","0.0002","13.2491","0.0003","106.648","0.0013","94.2733","0.001","105.726","0.0012","737.36","0.03","160","1","160","1","","","","","","","","4","P 1","P 1","1","Z-Val-Aib-Hyp(OBn)-OMe","methyl (4R)-N-(benzyloxycarbonyl)valyl-2-methylalanyl-4-(benzyloxy)prolinate","","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","1","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0415","0.0358","","","0.0809","0.0852","","","","","","1.07","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015337","5.0977","0.001","11.444","0.002","12.183","0.002","90","","95.58","0.03","90","","707.4","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[tetraaquamanganese(II)]-μ-4- (carboxylatomethylsulfanyl)phenoxyacetato]","","- C10 H16 Mn O9 S -","- C10 H16 Mn O9 S -","- C20 H32 Mn2 O18 S2 -","2","1","TY1014","Hong Su; Yun-Long Feng; Yi-Hang Wen","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]","Acta Crystallographica Section C","2006","62","5","m208","m210","10.1107/S010827010601184X","","","0.71073","MoKα","","0.0271","0.025","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015338","10.5886","0.0015","14.0238","0.0019","17.135","0.002","90","","106.838","0.002","90","","2435.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~glutarato-κ^3^O:O':O'')(μ~2~-1,3-di-4-pyridylpropane- κ^2^N:N')dizinc(II)]","","- C23 H26 N2 O8 Zn2 -","- C23 H26 N2 O8 Zn2 -","- C92 H104 N8 O32 Zn8 -","4","0.5","AV3006","Zhang, Qi-Wei; Wen, Yi-Hang; Feng, Yun-Long","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')(μ~3~-glutarato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')dizinc(II)]","Acta Crystallographica Section C","2006","62","6","m255","m257","10.1107/S0108270106016726","","","0.71073","MoKα","","","0.0487","","","0.1122","0.1304","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015339","16.0038","0.0017","5.8679","0.0007","15.9529","0.0018","90","","104.235","0.008","90","","1452.1","0.3","93","1","","","","","","","","","","4","C 1 2 1","C 2y","5","3-methyl-2-benzothiazolinone azine","(1Z,2Z)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","AV3007","Nakano, Taku; Kakuda, Hiroko; Mori, Yoshihiro; Shiro, Motoo","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","Acta Crystallographica Section C","2006","62","6","o331","o332","10.1107/S0108270106014223","","","1.54187","CuKα","","","0.0331","","","","0.0939","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015340","8.999","0.005","11.735","0.007","12.393","0.007","90","","98.799","0.012","90","","1293.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic‒4,4'-bipyridine (2/1)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","AV3011","Lou, Ben-Yong; Huang, Xiao-Dong; Lin, Xiang-Chao","The cocrystal of 3-hydroxy-2-naphthoic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","6","o310","o311","10.1107/S0108270106013461","","","0.71073","MoKα","","0.0912","0.0542","","","0.1342","0.1581","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015341","13.9736","0.0017","7.5445","0.0009","13.1729","0.0015","90","","119.788","0.002","90","","1205.2","0.2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CaZn(C~3~H~2~O~4~)~2~(H~2~O)~4~]","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","","- C6 H12 Ca O12 Zn -","- C6 H12 Ca O12 Zn -","- C24 H48 Ca4 O48 Zn4 -","4","0.5","AV3015","Xu-Cheng Fu; Ming-Tian Li; Xiao-Yan Wang; Cheng-Gang Wang; Xiao-Tao Deng","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","6","m258","m260","10.1107/S0108270106014582","","","0.71073","MoKα","","0.0238","0.0224","","","0.0589","0.0601","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015342","34.364","0.009","7.045","0.002","6.1736","0.0017","90","","91.349","0.004","90","","1494.2","0.7","289","2","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","diammonium trimagnesium hydrogenophosphite hexahydrate","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","","- H48 Mg3 N2 O30 P4 -","- H48 Mg3 N2 O30 P4 -","- H96 Mg6 N4 O60 P8 -","2","0.25","BC1091","Abdallah, Khaoulani Idrissi; Mohamed, Saadi; Mohamed, Rafiq; Abdelhalim, Guelzim","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","Acta Crystallographica Section C","2006","62","6","i43","i45","10.1107/S0108270106008882","","","0.71073","MoKα","","","0.033","","","","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015343","21.3281","0.0007","21.3281","0.0007","4.1993","0.0003","90","","90","","120","","1654.29","0.14","293","","293","","","","","","","","","3","P -6","P -6","174","barium fluoride chloride","heptabarium dodecafluoride dichloride","","- Ba4.6667 Cl1.3333 F8 -","- Ba4.66667 Cl1.33333 F8 -","- Ba28 Cl8 F48 -","6","1","BC1095","Bernsteiner, Anita; Kubel, Frank","A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~","Acta Crystallographica Section C","2006","62","6","i41","i42","10.1107/S010827010601273X","","","0.71073","MoKα","","0.0652","0.0375","","","","0.0309","","","2.382","","","2.3821","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015344","8.353","0.003","12.357","0.004","12.934","0.004","90","","103.916","0.005","90","","1295.8","0.7","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","triacetato-1κO,3κ^4^O,O'-(2,2'-iminodiethanol)-1κ^2^O,O'-bis(2,2'- iminodiethanolato)-1κ^2^O:2κ^6^O,N,O':3κ^2^O'-cobalt(III)copper(II)zinc(II)","","- C18 H38 Co Cu N3 O12 Zn -","- C18 H38 Co Cu N3 O12 Zn -","- C36 H76 Co2 Cu2 N6 O24 Zn2 -","2","1","BG1028","Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Skelton, Brian W.","A heterotrimetallic Cu‒Co‒Zn complex with the 2,2'-iminodiethanol ligand","Acta Crystallographica Section C","2006","62","6","m246","m248","10.1107/S010827010601523X","","","0.71073","MoKα","","0.09","0.065","","0.118","","0.092","","","1.331","","","1.178","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015345","13.3025","0.0012","6.169","0.0006","23.026","0.002","90","","98.69","0.01","90","","1867.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ferrocene‒decafluorobiphenyl (1/1)","","- C22 H10 F10 Fe -","- C22 H10 F10 Fe -","- C88 H40 F40 Fe4 -","4","0.5","BG3003","Batsanov, Andrei S.; Collings, Jonathan C.; Marder, Todd B.","Arene‒perfluoroarene interactions in crystal engineering. XV. Ferrocene‒decafluorobiphenyl (1/1)","Acta Crystallographica Section C","2006","62","6","m229","m231","10.1107/S0108270106014090","","","0.71073","MoKα","","0.0536","0.0389","","","0.0911","0.0978","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015346","10.3661","0.0002","9.5622","0.0002","9.1261","0.0002","90","","108.386","0.001","90","","858.43","0.03","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cis-(isopropylamine) ammine dichloro platinum(II)","cis-Amminedichloroisopropylamineplatinum(II)","","- C3 H12 Cl2 N2 Pt -","- C3 H12 Cl2 N2 Pt -","- C12 H48 Cl8 N8 Pt4 -","4","1","DN3009","Kirik, Sergei D.; Starkov, Aleksandr K.; Kozhuhovskay, Galina A.","<i>cis</i>-Amminedichloroisopropylamineplatinum(II) by X-ray powder diffraction analysis","Acta Crystallographica Section C","2006","62","6","m249","m251","10.1107/S0108270106013503","","","1.5418","CuKα","","","","","","","","","","1.29","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015347","7.4592","0.0017","10.251","0.002","11.624","0.003","78.603","0.005","85.529","0.007","83.151","0.008","863.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[{Cu(phen)}~2~(tp)Mo~4~O~13~]~n~","poly[di-μ~3~-oxo-hepta-μ~2~oxo-tetraoxobis(1,10-phenanthroline)-μ~4~- terephthalato-dicopper(II)tetramolybdate(VI)","","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","1","0.5","DN3010","Xiao-Yuan Wu; Quan-Guo Zhai; Li-Juan Chen; Can-Zhong Lu","An extended two-dimensional copper‒molybdate compound with mixed dicarboxyl and organodiamine ligands","Acta Crystallographica Section C","2006","62","6","m261","m263","10.1107/S0108270106013412","","","0.71073","MoKα","","0.0227","0.0198","","","0.0533","0.0543","","","","","","1.019","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2015348","4.06048","0.00006","4.06048","","4.06048","","89.8693","0.0004","89.8693","","89.8693","","66.9466","0.001","4.2","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.611 O3 Pb Zn0.389 -","- Nb0.611 O3 Pb Zn0.389 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","2.48","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015349","4.0624","0.00008","4.0624","","4.0624","","89.9226","0.0005","89.9226","","89.9226","","67.042","0.0013","295","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015350","16.727","0.001","14.152","0.001","8.718","0.001","90","","90.79","0.01","90","","2063.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","mammeigin","5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H- pyrano[2,3-f]chromen-2-one","","- C25 H24 O5 -","- C25 H24 O5 -","- C100 H96 O20 -","4","1","FA3017","Doriguetto, Antônio C.; Ellena, Javier; Dos Santos, Marcelo H.; Moreira, Maria E. C.; Nagem, Tanus J.","Mammeigin","Acta Crystallographica Section C","2006","62","6","o350","o352","10.1107/S0108270106017409","","","0.71073","MoKα","","","0.0436","","","","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015351","11.6451","0.0004","14.7287","0.0006","14.2679","0.0006","90","","108.09","0.001","90","","2326.23","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Nitrato-κ^2^O,O')bis(triethanolamine-κ^4^N,O,O',O'')lanthanum(III) dinitrate","","- C12 H30 La N5 O15 -","- C12 H30 La N5 O15 -","- C48 H120 La4 N20 O60 -","4","0.5","FG3009","Fowkes, Adrian; Harrison, William T. A.","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')lanthanum(III) dinitrate","Acta Crystallographica Section C","2006","62","6","m232","m233","10.1107/S0108270106011826","","","0.71073","MoKα","","0.0329","0.0276","","","0.0719","0.074","","","","","","1.058","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2015352","12.4256","0.0014","12.5254","0.0015","12.6935","0.0015","79.465","0.003","89.731","0.003","89.361","0.002","1942.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) dibromide","","- C13 H32 Br2 N6 -","- C13 H32 Br2 N6 -","- C52 H128 Br8 N24 -","4","2","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0942","0.0578","","","0.1285","0.1388","","","","","","0.987","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015353","17.577","0.0008","9.3797","0.0004","22.4953","0.001","90","","107.034","0.001","90","","3546","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetraphenylborate chloride","","- C37 H52 B Cl N6 -","- C37 H52 B Cl N6 -","- C148 H208 B4 Cl4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.1231","0.0439","","","0.0603","0.0722","","","","","","0.909","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015354","8.3199","0.0004","18.0809","0.0009","15.8086","0.0008","90","","104.291","0.001","90","","2304.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetrachloromercurate","","- C13 H32 Cl4 Hg N6 -","- C13 H32 Cl4 Hg N6 -","- C52 H128 Cl16 Hg4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0322","0.0281","","","0.0843","0.0867","","","","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015355","8.8771","0.0007","12.3802","0.001","12.5704","0.001","108.939","0.002","91.478","0.002","97.775","0.002","1291.1","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) bis(trifluoromethanesulfonate)","","- C15 H32 F6 N6 O6 S2 -","- C15 H32 F6 N6 O6 S2 -","- C30 H64 F12 N12 O12 S4 -","2","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0535","0.0456","","","0.1146","0.1206","","","","","","1.03","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015356","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.6","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-phenylalanyl-L-tryptophan 0.75-hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","FG3015","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-tryptophan 0.75-hydrate","Acta Crystallographica Section C","2006","62","6","o328","o330","10.1107/S0108270106014491","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015357","23.988","0.005","8.754","0.005","37.986","0.005","90","","95.718","0.005","90","","7937","5","173","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Octakis(3-propylammonium) octadecaiodopentaplumbate(II)","","- C24 H80 I18 N8 Pb5 -","- C24 H80 I18 N8 Pb5 -","- C96 H320 I72 N32 Pb20 -","4","1","FG3016","Billing, David G.; Lemmerer, Andreas","Octakis(3-propylammonium) octadecaiodopentaplumbate(II): a new layered stucture based on layered perovskites","Acta Crystallographica Section C","2006","62","6","m238","m240","10.1107/S0108270106014417","","","0.71069","MoKα","","","0.0448","","","","0.108","","","","","","0.997","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015358","8.0388","0.0001","6.1476","0.0001","15.839","0.0001","90","","92.923","0.001","90","","781.734","0.017","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1-thyminyl)acetamide","(1-thyminyl)acetamide(5-methyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)acetamide","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","GD3012","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Molecular packing in (5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide","Acta Crystallographica Section C","2006","62","6","o344","o345","10.1107/S0108270106015460","","","0.71073","MoKα","","0.0367","0.0363","","","0.0939","0.0942","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015359","6.889","0.002","9.684","0.003","12.719","0.004","90","","90","","90","","848.5","0.4","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis(1-methyl-1H-tetrazol-5-yl)diazene","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0349","0.0308","","","0.087","0.0919","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015360","9.943","0.002","6.4899","0.0018","18.33","0.004","90","","90","","90","","1182.8","0.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[[μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]dicopper(I)]-di-μ-chloro]","","- C4 H6 Cl2 Cu2 N10 -","- C4 H6 Cl2 Cu2 N10 -","- C16 H24 Cl8 Cu8 N40 -","4","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0435","0.0373","","","0.0894","0.0933","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015361","8.528","0.002","6.2456","0.0013","10.059","0.002","90","","105.462","0.019","90","","516.4","0.2","292","2","292","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]]","","- C4 H6 Cl Cu N10 -","- C4 H6 Cl Cu N10 -","- C8 H12 Cl2 Cu2 N20 -","2","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0579","0.0457","","","0.1174","0.127","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015362","6.6567","0.0002","9.1317","0.0003","10.8486","0.0003","99.2298","0.0016","98.278","0.002","99.5405","0.0019","631.98","0.03","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","rac-3-hydroxy-N-[1-methyl-1-(N-methyl-N-phenylcarbamoyl)ethyl]- 2-phenylpropanamide","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.078","0.0519","","","0.1206","0.1387","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015363","10.1934","0.0002","9.9466","0.0002","11.9331","0.0003","90","","103.392","0.0009","90","","1177","0.04","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-2-(2-hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4H)-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0597","0.042","","","0.0974","0.1078","","","","","","1.037","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015364","15.9437","0.0002","19.1979","0.0004","11.2587","0.0002","90","","132.918","0.0007","90","","2523.69","0.08","160","1","160","1","","","","","","","","4","C 1 c 1","C -2yc","9","","(6RS,13RS)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0496","0.0384","","","0.0907","0.0968","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015365","9.7917","0.001","7.9649","0.0008","15.0594","0.0016","90","","107.985","0.003","90","","1117.1","0.2","173","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis(tert-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","","- C8 H28 I4 N2 O2 Pb -","- C8 H28 I4 N2 O2 Pb -","- C16 H56 I8 N4 O4 Pb2 -","2","0.5","GD3019","Billing, David G.; Lemmerer, A.","<i>catena</i>-Poly[bis(<i>tert</i>-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","Acta Crystallographica Section C","2006","62","6","m264","m266","10.1107/S0108270106016167","","","0.71073","MoKα","","","0.0392","","","","0.1007","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015366","10.9366","0.0001","8.0785","0.0001","22.0995","0.0002","90","","103.324","0.001","90","","1899.96","0.03","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-di-O-p-toluoyltartrate methanol disolvate monohydrate","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate methanol disolvate monohydrate","","- C38 H50 N2 O11 -","- C38 H50 N2 O11 -","- C76 H100 N4 O22 -","2","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0381","0.0361","","","0.0938","0.0952","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015367","6.8805","0.0001","19.2606","0.0001","25.5545","0.0002","90","","90","","90","","3386.55","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(benylammonium) (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate dihydrate","","- C34 H40 N2 O10 -","- C34 H40 N2 O10 -","- C136 H160 N8 O40 -","4","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0375","0.034","","","0.0817","0.0836","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015368","11.2499","0.0002","11.8622","0.0003","18.232","0.0005","90","","107.875","0.0015","90","","2315.59","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,6SR)-N-diphenylacetyl-2,6-diphenyl-4-piperidone","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.0666","0.0454","","","0.1015","0.1126","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015369","9.9503","0.0004","11.8623","0.0006","18.5654","0.0008","77.92","0.002","84.699","0.003","85.731","0.002","2130.23","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(2RS,3SR,5RS,6SR)-3,5-dimethyl-N-phenylacetyl-2,6-diphenyl-4-piperidinone","","- C27 H27 N O2 -","- C27 H27 N O2 -","- C108 H108 N4 O8 -","4","2","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.1399","0.0879","","","0.2276","0.2616","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015370","16.4251","0.0007","10.2676","0.0005","16.355","0.0007","90","","90","","90","","2758.2","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV)","(1,4,7,10,13,16-hexaoxacyclooctadecane-1κ^6^O)-μ-oxo-1:2κ^2^O:O- hexakis(tetrahydroborato)-1κ^3^H;2κ^4^H;2κ^9^H-diuranium(IV)","","- C12 H48 B6 O7 U2 -","- C12 H48 B6 O7 U2 -","- C48 H192 B24 O28 U8 -","4","1","GG3015","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex","Acta Crystallographica Section C","2006","62","6","m243","m245","10.1107/S0108270106014934","","","0.71073","MoKα","","0.0368","0.0293","","","0.057","0.059","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015371","6.0931","0.0002","10.2759","0.0003","15.2973","0.0005","90","","92.148","0.001","90","","957.12","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1H)-one‒terephthalic acid","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","0.5","GZ3009","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","Hydrogen-bonded 1:1 adduct of 1,1'-(<i>p</i>-phenylene)dipyridin-4(1<i>H</i>)-one with terephthalic acid","Acta Crystallographica Section C","2006","62","6","o336","o338","10.1107/S0108270106015174","","","0.71073","MoKα","","0.048","0.041","","","0.116","0.121","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015372","9.2915","0.001","9.4337","0.0009","16.9287","0.0017","76.401","0.002","88.716","0.002","82.104","0.002","1428.5","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium hydrogen L-malate pentahydrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen (S)-malate pentahydrate","","- C27 H42 N2 O14 -","- C27 H42 N2 O14 -","- C54 H84 N4 O28 -","2","2","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0414","0.0357","","","0.0698","0.0724","","","","","","0.898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015373","12.2719","0.0007","13.5151","0.0008","14.3814","0.0009","90","","90","","90","","2385.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium hydrogen L-tartrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen 2(R),3(R)-tartrate","","- C27 H32 N2 O10 -","- C27 H32 N2 O10 -","- C108 H128 N8 O40 -","4","1","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0499","0.0395","","","0.0686","0.0709","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015374","10.3364","0.0003","21.9437","0.0009","12.6549","0.0004","90","","93.517","0.003","90","","2864.96","0.17","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)- 3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","","- C32 H31 Br F5 N2 Rh -","- C32 H31 Br F5 N2 Rh -","- C128 H124 Br4 F20 N8 Rh4 -","4","1","GZ3014","Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","Acta Crystallographica Section C","2006","62","6","m252","m254","10.1107/S0108270106016052","","","0.71073","MoKα","","0.0409","0.034","","","0.0911","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015375","7.379","0.003","17.139","0.004","10.788","0.003","90","","105.6","0.02","90","","1314.1","0.7","291","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium isatin-3-semicarbazone-5-sulfonate","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1H-indole-5-sulfonate dihydrate","","- C9 H11 N4 Na O7 S -","- C9 H7 N4 Na O7 S -","- C36 H28 N16 Na4 O28 S4 -","4","1","HJ3004","Pelosi, G.; Belicchi Ferrari, M.; Rodríguez-Argüelles, M. C.; Mosquera-Vázquez, S.; Sanmartín, J.","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1<i>H</i>-indole-5-sulfonate dihydrate","Acta Crystallographica Section C","2006","62","6","m241","m242","10.1107/S0108270106011590","","","0.71069","MoKα","","0.1721","0.0566","","","0.0874","0.1117","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015376","3.7889","0.0009","15.58","0.004","10.759","0.003","90","","93.73","0.03","90","","633.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Formylbenzonitrile","","- C8 H5 N O -","- C8 H5 N O -","- C32 H20 N4 O4 -","4","1","JZ3013","Britton, Doyle; Cramer, Christopher J.","2-Formylbenzonitrile","Acta Crystallographica Section C","2006","62","6","o307","o309","10.1107/S0108270106013138","","","0.71073","MoKα","","0.051","0.042","","","0.095","0.101","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015377","13.094","0.005","7.84","0.003","18.854","0.005","90","","126.182","0.018","90","","1562.2","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Glycylglycinato-κ^3^O,N,N')(2-methyl-1H-benzimidazole-κN^3^)copper(II) trihydrate","","- C12 H20 Cu N4 O6 -","- C12 H20 Cu N4 O6 -","- C48 H80 Cu4 N16 O24 -","4","1","OB3003","Li, Li; Zhu, Miao-Li; Lu, Li-Ping","(Glycylglycinato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) trihydrate","Acta Crystallographica Section C","2006","62","6","m227","m228","10.1107/S0108270106014132","","","0.71073","MoKα","","0.0684","0.0599","","","0.1231","0.1268","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015378","12.0141","0.0004","12.3388","0.0005","15.6913","0.0006","90","","90","","90","","2326.07","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound II","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0436","0.0374","","","0.0953","0.0992","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015379","10.5916","0.0014","11.3683","0.0015","17.747","0.002","90","","90","","90","","2136.9","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound III","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C24 H32 B N O2 -","- C24 H32 B N O2 -","- C96 H128 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0351","0.0304","","","0.0772","0.0812","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015380","9.8152","0.0004","22.6374","0.0009","10.0469","0.0004","90","","90.449","0.002","90","","2232.26","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound IV","(2<i>Z</i>)-2-buten-2-yl-6-isobutyl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","2","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0418","0.0347","","","0.0896","0.0946","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015381","9.3814","0.0001","9.7427","0.0001","15.51","0.001","90","","103.487","0.001","90","","1378.52","0.09","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","","- C12 H13 Cu N3 O6 -","- C12 H13 Cu N3 O6 -","- C48 H52 Cu4 N12 O24 -","4","1","SF3005","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","Acta Crystallographica Section C","2006","62","6","m267","m268","10.1107/S0108270106016398","","","0.71073","MoKα","","0.028","0.0237","","","0.0673","0.0689","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015382","7.8647","0.0018","11.776","0.003","15.904","0.004","70.095","0.003","87.137","0.004","78.855","0.004","1358.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, hydrazine","hydrazinium saccharinate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C42 H54 N18 O18 S6 -","6","3","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0811","0.0523","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015383","7.1684","0.0019","9.964","0.003","13.185","0.004","84.557","0.004","86.387","0.004","76.149","0.004","909.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, ethylenedimaine","ethylenediaminium bis(saccharinate)","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0824","0.0519","","","0.117","0.1303","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015384","9.0016","0.0011","11.2539","0.0013","10.0269","0.0012","90","","109.196","0.001","90","","959.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","saccharin, 1,4-butyldiamine","butane-1,4-diaminium bis(saccharinate)","","- C18 H22 N4 O6 S2 -","- C18 H22 N4 O6 S2 -","- C36 H44 N8 O12 S4 -","2","0.5","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0328","0.0315","","","0.0816","0.083","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015385","6.9336","0.0012","11.998","0.002","9.4691","0.0016","90","","107.365","0.002","90","","751.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Desloratadine","8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C38 H38 Cl2 N4 -","2","1","SK3005","Prashant M. Bhatt; Gautam R. Desiraju","Form I of desloratadine, a tricyclic antihistamine","Acta Crystallographica Section C","2006","62","6","o362","o363","10.1107/S0108270106012571","","","0.71073","MoKα","","0.0334","0.032","","","0.0744","0.0754","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015386","7.2865","0.0003","8.2885","0.0004","8.4596","0.0003","78.328","0.002","86.105","0.002","66.388","0.002","458.41","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-hydroxyquinolinium chloride monohydrate","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C18 H20 Cl2 N2 O4 -","2","1","SK3016","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Formation of ladders from <i>R</i>~4~^4^(8) and <i>R</i>~6~^6^(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts","Acta Crystallographica Section C","2006","62","6","o312","o314","10.1107/S0108270106013473","","","0.71073","MoKα","","0.04","0.0326","","","0.0814","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015387","4.7917","0.0002","11.5905","0.0006","14.0496","0.0005","90","","98.372","0.003","90","","771.97","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dinitrophenylhydrazine","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","SK3017","Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Dinitrophenylhydrazine, redetermined at 120K: a three-dimensional framework built from N—H···O, N—H···(O)~2~, N—H···π(arene) and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","6","o318","o320","10.1107/S0108270106013114","","","0.71073","MoKα","","0.098","0.0523","","","0.1226","0.1432","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015388","9.3617","0.0006","11.093","0.0005","7.6482","0.0004","90","","101.146","0.002","90","","779.28","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodoisatin","5-iodo-1H-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0235","0.0201","","","0.0495","0.0509","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015389","5.1704","0.0002","15.5609","0.0011","10.578","0.0007","90","","102.713","0.004","90","","830.2","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-trifluoromethylisatin","7-trifluoromethyl-1H-indole-2,3-dione","","- C9 H4 F3 N O2 -","- C9 H4 F3 N O2 -","- C36 H16 F12 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0637","0.0409","","","0.095","0.1054","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015390","8.528","0.0012","8.861","0.0014","11.734","0.0016","100.992","0.01","93.118","0.015","110.524","0.009","808.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C38 H36 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0853","0.0517","","","0.1238","0.1515","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015391","17.7659","0.0006","8.573","0.0002","11.3982","0.0003","90","","101.094","0.002","90","","1703.58","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0783","0.0533","","","0.1341","0.1526","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015392","7.6778","0.0002","8.1298","0.0003","16.6417","0.0005","89.08","0.002","85.123","0.002","72.49","0.002","986.99","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-8,8-dimethyl-5-phenyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C24 H20 Cl N3 O -","- C24 H20 Cl N3 O -","- C48 H40 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0928","0.0486","","","0.1132","0.1339","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015393","5.819","0.0007","10.464","0.0013","13.847","0.002","78.447","0.012","79.647","0.009","84.882","0.012","811.37","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-8,8-dimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one monohydrate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C38 H42 N6 O4 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.1809","0.0685","","","0.1589","0.2227","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015394","7.8714","0.0002","6.1236","0.0002","10.5424","0.0003","90","","90","","90","","508.16","0.03","290","1","290","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dirubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0209","0.0179","","","0.0292","0.0303","","","","","","1.21","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015395","7.8403","0.0002","6.1034","0.0002","10.4813","0.0003","90","","90","","90","","501.56","0.03","130","1","130","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-rubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0223","0.0205","","","0.0322","0.0332","","","","","","1.39","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015396","8.308","0.002","6.3812","0.0009","11.036","0.002","90","","90","","90","","585.07","0.19","240","1","240","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0264","0.0221","","","0.0354","0.0368","","","","","","1.48","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015397","8.2821","0.0008","6.3577","0.0006","10.9827","0.0008","90","","90","","90","","578.3","0.09","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0191","0.0165","","","0.0334","0.0356","","","","","","1.52","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015398","7.918","0.002","10.89","0.001","27.087","0.007","90","","95.72","0.02","90","","2324","0.9","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","O-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] N-(4-methylphenyl)-N-(3-nitrobenzoyl)thiocarbamate","","- C25 H19 N3 O6 S -","- C25 H19 N3 O6 S -","- C100 H76 N12 O24 S4 -","4","1","TR1130","Angelo Mugnoli; Alberto Borassi; Andrea Spallarossa; Sara Cesarini","A novel potent non-nucleoside reverse transcriptase inhibitor acylthiocarbamate derivative with extensive intramolecular π‒π interactions","Acta Crystallographica Section C","2006","62","6","o315","o317","10.1107/S0108270106013175","","","0.7107","MoKα","","0.1194","0.055","","","0.1106","0.127","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015399","11.974","0.003","12.531","0.002","20.827","0.007","89.81","0.02","73.56","0.02","68.26","0.02","2765.9","1.4","293","2","","","","","","","","","","7","P -1","-P 1","2","","[4-(2-diphenylphosphino-α-ethoxybenzyl-κP)-S-methyl-1-(4-oxo-2- pentyl-κO)thiosemicarbazido-κ^2^N^1^,N^4^]nickel(II)","","- C28 H30 N3 Ni O2 P S -","- C28 H30 N3 Ni O2 P S -","- C112 H120 N12 Ni4 O8 P4 S4 -","4","2","AV3009","Drašković, Bojana M.; Bogdanović, Goran A.; Leovac, Vukadin M.; Brčeski, Ilija D.; Poleti, Dejan","Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-Diphenylphosphino-α-ethoxybenzyl-κ<i>P</i>)-<i>S</i>-methyl-1-(4-oxidopent-3-en-4-ylidene-κ<i>O</i>)thiosemicarbazido-κ^2^<i>N</i>^1^,<i>N</i>^4^]nickel(II)","Acta Crystallographica Section C","2006","62","7","m319","m322","10.1107/S0108270106018932","","","0.71073","MoKα","","","0.0436","","","","0.1169","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015400","11.106","0.003","16.5606","0.0016","12.0351","0.0018","90","","111.463","0.012","90","","2060","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Piroxicam Benzoate","4-Benzoyloxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C88 H68 N12 O20 S4 -","4","1","AV3014","Tatiana N. Drebushchak; Natalia N. Pankrushina; Tatiana P. Shakhtshneider; Svetlana A. Apenina","4-Benzoyloxy-2-methyl-<i>N</i>-(2-pyridyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide","Acta Crystallographica Section C","2006","62","7","o429","o431","10.1107/S0108270106020567","","","0.71073","MoKα","","0.1366","0.0618","","","0.1084","0.1349","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015401","18.862","0.002","10.5138","0.0011","19.081","0.002","90","","109.154","0.002","90","","3574.5","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-biphenyl-4,4'-diaminium bis(4'-amino-1,1'-biphenyl-4-aminium) tetrakis(2-carboxy-4,6-dinitrophenolate) ethanol disolvate","","- C68 H64 N14 O30 -","- C68 H64 N14 O30 -","- C136 H128 N28 O60 -","2","0.5","AV3018","Graham Smith; Urs D. Wermuth; Jonathan M. White","Mixed dicationic and monocationic benzidine species in the proton-transfer compound of benzidine with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2006","62","7","o402","o404","10.1107/S010827010601821X","","","0.71073","MoKα","","0.1574","0.0493","","","0.0762","0.0976","","","","","","0.867","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015402","9.409","0.002","9.409","0.002","9.409","0.002","90","","90","","90","","833","0.3","200","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","Hexafluoroiodium(VII) hexafluoroarsenate","","","- As F12 I -","- As F12 I -","- As4 F48 I4 -","4","0.166667","BC3005","Evgeny Goreshnik; Zoran Mazej","Hexafluoroiodium(VII) hexafluoroarsenate","Acta Crystallographica Section C","2006","62","7","i59","i60","10.1107/S0108270106017719","","","0.71069","MoKα","","0.0423","0.0213","","","0.0523","0.0629","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015403","10.951","0.003","8.998","0.001","12.803","0.005","90","","128.94","0.02","90","","981.3","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium gadolinium polyphosphate","ammonium gadolinium tetrakis(phosphate)","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","1","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0304","0.0239","","","0.0532","0.0556","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015404","7.865","0.001","12.599","0.002","10.535","0.001","90","","110.83","0.01","90","","975.7","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium gadolinium cyclotetraphosphate","ammonium gadolinium cyclotetraphosphate","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","0.5","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0174","0.017","","","0.044","0.0442","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015405","12.394","0.003","14.823","0.003","14.924","0.003","97.707","0.006","113.562","0.005","112.86","0.005","2175.6","0.8","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","4-phenyl-1H-imidazolium hexa-μ~2~-chloro-chloro-μ~4~-oxo-tris(4-phenyl-1H-imidazole- κN^1^)tetracopper(II) monohydrate","","- C36 H35 Cl7 Cu4 N8 O2 -","- C36 H33 Cl7 Cu4 N8 O2 -","- C72 H66 Cl14 Cu8 N16 O4 -","2","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.099","0.0503","","","0.0577","0.0667","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015406","11.638","0.003","16.237","0.004","17.139","0.004","106.249","0.005","102.401","0.006","94.255","0.005","3005.5","1.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-chloro-chloro-μ~4~-oxo-tetrakis(pyridine N-oxide- κO)tetracopper(II) 0.2-hydrate","","- C20 H20 Cl6 Cu4 N4 O5 -","- C20 H20 Cl6 Cu4 N4 O5 -","- C80 H80 Cl24 Cu16 N16 O20 -","4","2","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.1545","0.0678","","","0.0773","0.0947","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015407","10.2454","0.0013","17.826","0.002","19.557","0.002","90","","94.877","0.002","90","","3558.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-chloro-chlorotetrakis(2-methyl-1H-imidazole- κN^1^)-μ~4~-oxo-tetracopper(II) methanol tetrasolvate, [Cu~4~Cl~6~O(C~4~H~6~N~2~)~4~].3CH~4~O","","- C19 H36 Cl6 Cu4 N8 O4 -","- C19 H36 Cl6 Cu4 N8 O4 -","- C76 H144 Cl24 Cu16 N32 O16 -","4","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.0695","0.0468","","","0.0986","0.1066","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015408","11.9697","0.0013","18.18","0.002","4.4626","0.0005","90","","90","","90","","971.1","0.19","295","1","295","1","","","","","","","","4","P b a m","-P 2 2ab","55","cadaverinium dichloride","Pentane-1,5-diammonium dichloride","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C20 H64 Cl8 N8 -","4","0.5","DN3013","Pospieszna-Markiewicz, Izabela; Radecka-Paryzek, Wanda; Kubicki, Maciej","Cadaverinium dichloride: a case of centro‒non-centrosymmetric ambiguity","Acta Crystallographica Section C","2006","62","7","o399","o401","10.1107/S0108270106018397","","","0.71073","MoKα","","0.0501","0.0368","","","0.1","0.1086","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015409","8.094","0.002","8.522","0.003","12.847","0.005","87.2","0.02","85.7","0.01","65.92","0.02","806.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyridoxinium picrate","3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinium 2,4,6-trinitrophenolate","","- C14 H14 N4 O10 -","- C14 H14 N4 O10 -","- C28 H28 N8 O20 -","2","1","DN3016","K. Anitha; S. Athimoolam; S. Natarajan","Pyridoxinium picrate","Acta Crystallographica Section C","2006","62","7","o426","o428","10.1107/S0108270106018373","","","0.71073","MoKα","","0.0596","0.0434","","","0.1192","0.1302","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015410","8.193","0.0015","12.442","0.002","12.584","0.003","109.846","0.005","99.918","0.005","98.33","0.015","1159.6","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","o-phenylenebis(diphenylphosphine)","1,2-bis(diphenylphosphino)benzene","","- C30 H24 P2 -","- C30 H24 P2 -","- C60 H48 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.1566","0.0563","","","0.1017","0.1319","","","","","","0.925","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015411","10.3323","0.0005","11.8412","0.001","12.7828","0.001","69.536","0.003","67.26","0.003","70.847","0.004","1317.22","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","o-phenylenebis(diphenylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]methyldiphenylphosphonium iodide","","- C31 H27 I P2 -","- C31 H27 I P2 -","- C62 H54 I2 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0431","0.0312","","","0.0699","0.0741","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015412","9.2002","0.0016","11.846","0.003","13.566","0.002","90","","94.312","0.014","90","","1474.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-phenylenebis(dimethylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]trimethylphosphonium iodide","","- C11 H19 I P2 -","- C11 H19 I P2 -","- C44 H76 I4 P8 -","4","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0846","0.0458","","","0.1038","0.1211","","","","","","0.967","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015413","12.442","0.003","8.333","0.0017","7.66","0.0015","90","","90.14","0.03","90","","794.2","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trifluoroacetate) trihydrate","","- C7 H14 F6 N6 O7 -","- C7 H14 F6 N6 O7 -","- C14 H28 F12 N12 O14 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.1074","0.0445","","","0.0892","0.1048","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015414","17.865","0.003","8.465","0.002","6.117","0.001","90","","100.22","0.01","90","","910.4","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trichloroacetate) dihydrate","","- C7 H12 Cl6 N6 O6 -","- C7 H12 Cl6 N6 O6 -","- C14 H24 Cl12 N12 O12 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.0378","0.0351","","","0.0819","0.0845","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015415","9.509","0.005","9.509","0.005","10.989","0.008","90","","90","","120","","860.5","0.9","296.1","","293","2","","","","","","","","4","R -3 :H","-R 3","148","calcium yttrium tin oxide","","","- Ca0.8 O6 Sn0.8 Y2.4 -","- Ca0.8001 O6 Sn0.8 Y2.3999 -","- Ca4.8006 O36 Sn4.8 Y14.3994 -","6","0.333333","FA3014","Yusuke Kaminaga; Hisanori Yamane; Takahiro Yamada","Ca~0.8~Y~2.4~Sn~0.8~O~6~, a quaternary oxide with mixed occupations of Ca/Y and Y/Sn","Acta Crystallographica Section C","2006","62","7","i57","i58","10.1107/S0108270106017586","","","0.710747","MoKα","","0.0186","0.0179","","","0.0411","0.0414","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015416","6.631","0.003","7.719","0.004","9.645","0.004","92.014","0.005","92.205","0.005","110.471","0.007","461.5","0.4","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","1","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0333","0.0263","","","0.0563","0.0581","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015417","11.69","0.0017","11.57","0.0013","7.98","0.0013","90","","110.51","0.006","90","","1010.9","0.3","118","2","118","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C8 H24 F6 N4 O8 P Rh2 -","- C8 H24 F6 N4 O8 P Rh2 -","- C16 H48 F12 N8 O16 P2 Rh4 -","2","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.03","0.0265","","","0.0547","0.0558","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015418","8.98","0.002","11.866","0.003","12.682","0.004","87.696","0.01","85.095","0.008","69.032","0.006","1257.2","0.6","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-propionamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C12 H32 F6 N4 O8 P Rh2 -","- C12 H32 F6 N4 O8 P Rh2 -","- C24 H64 F12 N8 O16 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.033","0.0264","","","0.0628","0.0654","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015419","9.1037","0.0004","11.0653","0.0001","14.0104","0.0005","73.667","0.01","82.14","0.01","79.49","0.01","1326.19","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-butyramidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C16 H36 F6 N4 O6 P Rh2 -","- C16 H36 F6 N4 O6 P Rh2 -","- C32 H72 F12 N8 O12 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0506","0.0405","","","0.0666","0.0693","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015420","21.293","0.003","5.9659","0.0008","4.4306","0.0006","90","","101.702","0.011","90","","551.13","0.13","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-decafluorodiphenylamine","","- C12 H F10 N -","- C12 H F10 N -","- C24 H2 F20 N2 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0292","0.0281","","","0.0789","0.0796","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015421","21.417","0.003","5.7778","0.0011","8.1895","0.0014","90","","94.312","0.013","90","","1010.5","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine‒diphenylamine (1/1)","","- C24 H12 F10 N2 -","- C24 H12 F10 N2 -","- C48 H24 F20 N4 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0502","0.0477","","","0.1123","0.1143","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015422","16.044","0.004","17.619","0.004","17.942","0.005","90","","91.571","0.005","90","","5070","2","295","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-acetato-acetatoaqua(di-3-pyridylamine)di-μ~3~-oxo-tetrairon(III) chloride monohydrate ethanol 1.25-solvate","","- C36.5 H50.5 Cl Fe4 N6 O19.25 -","- C36.5 H45.25 Cl Fe4 N6 O19.25 -","- C146 H181 Cl4 Fe16 N24 O77 -","4","1","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1366","0.0677","","","0.1401","0.1599","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015423","32.147","0.006","12.048","0.002","8.0652","0.0016","90","","90","","90","","3123.7","1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-methylimidazolium hexa-μ~2~-acetato-acetatodiaqua-μ~3~-oxo-triiron(III) chloride dihydrate","","- C18 H36 Cl Fe3 N2 O19 -","- C18 H28 Cl Fe3 N2 O19 -","- C72 H112 Cl4 Fe12 N8 O76 -","4","0.5","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1551","0.0687","","","0.1645","0.2225","","","","","","1.013","","","","has coordinates,has Fobs","194047","2020-10-21","18:00:00",""
"2015424","6.704","0.002","10.493","0.003","28.536","0.007","90","","90","","90","","2007.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylammonium adenosine cyclic 2',3'-phosphate","Triethylammonium 4-(6-aminopurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole","","- C16 H27 N6 O6 P -","- C16 H27 N6 O6 P -","- C64 H108 N24 O24 P4 -","4","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","1.5418","CuKα","","0.0516","0.0466","","","0.1211","0.126","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015425","10.611","0.003","7.931","0.003","12.585","0.003","90","","96.89","0.03","90","","1051.5","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylammonium guanosine cyclic 2',3'-phosphate monohydrate","triethylammonium 4-(6-oxo-1,6-dihydropurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole monohydrate","","- C16 H29 N6 O8 P -","- C16 H29 N6 O8 P -","- C32 H58 N12 O16 P2 -","2","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","0.71073","MoKα","","0.0626","0.0424","","","0.0738","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015426","12.159","0.0002","8.5666","0.0001","9.9999","0.0001","90","","90","","90","","1041.6","0.02","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(4-hydroxyphenyl)-4,4-dimethyl-2-oxazoline","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","FG3022","Vratislav Langer; Dalma Gyepesová; Eva Scholtzová; Jozef Lustoň; Juraj Kronek; Miroslav Koóš","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","7","o416","o418","10.1107/S0108270106019238","","","0.71073","MoKα","","0.0421","0.0364","","","0.1011","0.1054","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015427","12.9275","0.0012","14.0002","0.0013","19.6729","0.0014","100.747","0.007","102.467","0.007","96.879","0.008","3367.8","0.5","140","1","140","1","","","","","","","","5","P -1","-P 1","2","Compound (II)","{Bis(3,5-Di-tert-butyl-2-oxidobenzyl)[2-(N,N-dimethylamino)ethyl]amine- κ^4^N,N',O,O'}zinc(II)","","- C34 H54 N2 O2 Zn -","- C34 H54 N2 O2 Zn -","- C136 H216 N8 O8 Zn4 -","4","2","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.1111","0.0418","","","0.0617","0.0707","","","","","","0.794","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015428","13.669","0.003","17.476","0.004","12.989","0.004","90","","93.14","0.02","90","","3098.1","1.4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound (III)","{bis(3-tert-butyl-5-methyl-2-oxidobenzyl)[2-(N,N- dimethylamino)ethyl]amine-κ^4^N,N',O,O'}(tetrahdyrofuran)zinc(II)","","- C32 H50 N2 O3 Zn -","- C32 H50 N2 O3 Zn -","- C128 H200 N8 O12 Zn4 -","4","1","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.2113","0.0486","","","0.0547","0.0731","","","","","","0.676","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015429","14.2329","0.0008","7.3321","0.0004","14.9255","0.001","90","","109.03","0.006","90","","1472.46","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Iodo-(picolinato-N,O)(picolinic acid-N,O)mercury(II)","Iodo(picolinato-κ^2^N,O)(picolinic acid-κ^2^N,O)mercury(II)","","- C12 H9 Hg I N2 O4 -","- C12 H9 Hg I N2 O4 -","- C48 H36 Hg4 I4 N8 O16 -","4","0.5","GA3005","Popović, Zora; Pavlović, Gordana; Soldin, Željka","Iodo(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinic acid-κ^2^<i>N</i>,<i>O</i>)mercury(II)","Acta Crystallographica Section C","2006","62","7","m272","m274","10.1107/S0108270106014788","","","0.71073","MoKα","","0.0216","0.021","","","0.0467","0.0471","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015430","13.3426","0.0014","13.3426","0.0014","9.049","0.002","90","","90","","90","","1610.9","0.4","298","2","298","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","0.5","GA3008","Imashiro, Fumio","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","Acta Crystallographica Section C","2006","62","7","o410","o411","10.1107/S010827010601866X","","","0.71069","MoKα","","0.0505","0.034","","","0.0888","0.0967","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015431","14.803","0.002","14.803","0.002","16.991","0.004","90","","90","","90","","3723.2","1.1","294","2","294","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide","","- C12 H48 Cd I6 N12 Zn2 -","- C12 H48 Cd I6 N12 Zn2 -","- C48 H192 Cd4 I24 N48 Zn8 -","4","0.25","GD3008","Nesterova, Oksana V.; Petrusenko, Svitlana R.; Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Linert, Wolfgang","A three-dimensional framework of bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide assisted by N—H···I hydrogen bonds","Acta Crystallographica Section C","2006","62","7","m281","m283","10.1107/S0108270106017720","","","0.71073","MoKα","","0.0357","0.0272","","","0.0607","0.0619","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015432","16.4733","0.0017","11.0224","0.001","19.693","0.002","90","","96.887","0.009","90","","3550","0.6","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Fe(Cp*)~2~][Ni(dmio)~2~]","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate","","- C30 H38 Fe Ni O3 S8 -","- C30 H38 Fe Ni O3 S8 -","- C120 H152 Fe4 Ni4 O12 S32 -","4","1","GD3016","Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate","Acta Crystallographica Section C","2006","62","7","m278","m280","10.1107/S0108270106018191","","","0.71073","MoKα","","0.1652","0.072","","","0.122","0.149","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015433","14.708","0.003","15.633","0.003","19.158","0.004","94.99","0.03","96.62","0.03","114.88","0.03","3924.4","1.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","antimonium phthalocyanine","Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III)","","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","1","0.5","GD3021","Jan Janczak; Genivaldo Júlio Perpétuo","Tetrakis[phthalocyaninato(2‒)antimony(III)] docosaiodohexaantimony(III)","Acta Crystallographica Section C","2006","62","7","m323","m326","10.1107/S010827010601910X","","","0.71073","MoKα","","0.0907","0.0433","","","0.0693","0.0742","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015434","19.3785","0.0015","5.9918","0.0005","20.0293","0.0015","90","","117.813","0.001","90","","2057","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil‒thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.78 H8.34 F1.22 N4 O4 -","- C8.781 H8.34 F1.219 N4 O4 -","- C70.248 H66.72 F9.752 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0407","0.0369","","","0.093","0.0955","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015435","19.856","0.011","5.946","0.003","20.073","0.011","90","","117.66","0.008","90","","2099","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.77 H8.3 F1.23 N4 O4 -","- C8.766 H8.304 F1.234 N4 O4 -","- C70.128 H66.432 F9.872 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0802","0.0564","","","0.1264","0.1378","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015436","19.235","0.003","5.9683","0.0008","20.042","0.003","90","","118.216","0.002","90","","2027.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.58 H7.74 F1.42 N4 O4 -","- C8.579 H7.734 F1.421 N4 O4 -","- C68.632 H61.872 F11.368 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0462","0.0415","","","0.1071","0.11","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015437","8.2049","0.0005","11.9741","0.0008","17.9611","0.0012","90","","90","","90","","1764.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C12 H28 B K O6 -","- C12 H28 B K O6 -","- C48 H112 B4 K4 O24 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0447","0.0346","","","0.0794","0.0832","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015438","9.5611","0.0004","9.9657","0.0005","26.2779","0.0015","90","","90","","90","","2503.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium","","- C24 H36 B K O7 -","- C24 H36 B K O7 -","- C96 H144 B4 K4 O28 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0652","0.0475","","","0.1209","0.1289","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015439","36.2171","0.0001","36.2171","0.0001","7.6695","0.0001","90","","90","","120","","8712.14","0.12","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)thiazole-2(3H)-thione","","- C20 H18 Cl N O S2 -","- C20 H18 Cl N O S2 -","- C360 H324 Cl18 N18 O18 S36 -","18","3","HJ1090","Hartung, Jens; Schwarz, Michaela; Paulus, Erich F.; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2006","62","7","o386","o388","10.1107/S0108270106004677","","","0.71073","MoKα","","0.0625","0.0487","","","0.0872","0.0964","","","","","","1.296","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015440","16.9205","0.0011","10.7034","0.0006","7.2308","0.0005","90","","99.518","0.005","90","","1291.52","0.14","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 4-nitratocyclohexa-2,4-dienone monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0662","0.0402","","","0.0975","0.1068","","","","","","0.928","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015441","23.561","0.004","23.561","0.004","5.7823","0.0008","90","","90","","120","","2779.8","0.8","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","(R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C99 H135 N9 O18 -","9","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0644","0.0354","","","0.0826","0.0925","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015442","9.7424","0.0008","10.6073","0.0008","14.482","0.0011","102.592","0.006","104.459","0.006","105.84","0.006","1326.7","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 2-ethoxyphenolate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","2","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0796","0.0389","","","0.0842","0.0952","","","","","","0.883","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015443","20.725","0.006","9.727","0.003","25.306","0.007","90","","96.095","0.004","90","","5073","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)- 1,3-dicyclohexylurea","","- C28 H30 Br N3 O4 -","- C28 H30 Br N3 O4 -","- C224 H240 Br8 N24 O32 -","8","1","HJ3008","Li Wu; Hui-Min Liu; Wen-Tao Zhao; Wen-Qin Zhang","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracen-2-ylcarbonyl)-1,3-dicyclohexylurea","Acta Crystallographica Section C","2006","62","7","o435","o437","10.1107/S0108270106016520","","","0.71073","MoKα","","0.0797","0.0424","","","0.0933","0.1076","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015444","8.9489","0.0005","11.023","0.0008","11.2885","0.0007","111.427","0.002","98.281","0.001","108.834","0.001","936.71","0.11","295","2","","","","","","","","","","4","P -1","-P 1","2","","(1SR,2SR,3SR,4RS,5RS,6RS,7SR,8RS)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","","- C16 H20 Cl2 O8 -","- C16 H20 Cl2 O8 -","- C32 H40 Cl4 O16 -","2","1","HJ3010","Şahin, Ertan; Kelebekli, Latif; Kara, Yunus; Balci, Metin","(1<i>SR</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,6<i>RS</i>,7<i>SR</i>,8<i>RS</i>)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","Acta Crystallographica Section C","2006","62","7","o432","o434","10.1107/S0108270106018336","","","0.71073","MoKα","","","0.076","","","","0.1896","","","","","","1.321","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2015445","11.8887","0.0006","12.8303","0.0006","10.2464","0.0004","90","","90","","90","","1562.94","0.12","293","2","293","2","","","","","","","","3","A m a 2","A 2 -2a","40","","dirubidium heptaoxodimolybdate","","- Mo2 O7 Rb2 -","- Mo2 O7 Rb2 -","- Mo16 O56 Rb16 -","8","1","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.0183","0.0178","","","0.0493","0.0494","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015446","15.558","0.0005","15.1794","0.0005","7.2252","0.0002","90","","90.0059","0.0011","90","","1706.31","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dicaesium heptaoxodimolybdate","","- Cs2 Mo2 O7 -","- Cs2 Mo2 O7 -","- Cs16 Mo16 O56 -","8","2","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.033","0.0282","","","0.0561","0.0582","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015447","9.1608","0.0008","7.9863","0.0007","9.459","0.0008","90","","113.908","0.0012","90","","632.65","0.09","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicalcium zinc cobalt digermanate","","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca8 Co0.12 Ge8 O28 Zn3.88 -","4","1","IZ3005","Redhammer, Günther J.; Roth, Georg.","Commensurate monoclinic form of Ca~2~Zn~0.97~Co~0.03~Ge~2~O~7~","Acta Crystallographica Section C","2006","62","7","i61","i63","10.1107/S0108270106016180","","","0.71073","MoKα","","","0.0218","","","","0.053","","","","","","1.07","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2015448","9.7859","0.0007","9.7859","0.0007","20.3813","0.0014","90","","90","","120","","1690.3","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","7-Deaza-2,8-diazaadenosine","4-amino-7-(β-D-ribofuranosyl)-7H-pyrazolo[3,4-d][1,2,3]triazine","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","JZ3014","Lin, Wen-Qing; Ming, Xin; Eickmeier, Henning; Seela, Frank","7-Deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2006","62","7","o379","o381","10.1107/S010827010601818X","","","0.71073","MoKα","","0.0546","0.0443","","","0.1185","0.1253","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015449","5.1845","0.0012","9.719","0.002","10.041","0.002","95.305","0.005","98.541","0.005","101.663","0.005","486.07","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.0616","0.0464","","","0.1196","0.127","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015450","19.688","0.002","5.0178","0.0006","10.1344","0.0011","90","","97.762","0.002","90","","992.01","0.19","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.1158","0.0528","","","0.1171","0.1341","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015451","17.1397","0.0005","6.85","0.0002","16.1142","0.0005","90","","103.021","0.002","90","","1843.27","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","","- C10 H10 Cl4 N8 S2 Zn -","- C10 H10 Cl4 N8 S2 Zn -","- C40 H40 Cl16 N32 S8 Zn4 -","4","1","OB3005","Valkonen, Arto; Ahonen, Kari; Kolehmainen, Erkki","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2006","62","7","m290","m292","10.1107/S0108270106019469","","","0.71073","MoKα","","0.0719","0.0464","","","0.0758","0.0836","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015452","7.6177","0.0001","27.6911","0.0004","29.9256","0.0004","90","","90","","90","","6312.58","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-ketolithocholic acid","(-)-3,7-Dioxo-5β-cholanic acid","","- C24 H36 O4 -","- C24 H36 O4 -","- C288 H432 O48 -","12","3","SK3014","Kikolski, Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","({-})-3,7-Dioxo-5β-cholanic acid: dual hydrogen-bonding modes in a diketonic bile-acid derivative","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","7","o394","o396","10.1107/S010827010601136X","","","1.54178","CuKα","","0.04","0.036","","","0.089","0.091","","","","","","1.07","","","","has coordinates","270623","2021-11-12","13:40:30",""
"2015453","8.1697","0.0002","13.2052","0.0003","14.9286","0.0004","90","","90","","90","","1610.54","0.07","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C24 H60 Cl12 K4 O16 P4 Pt4 S4 -","4","1","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.111","0.0372","","","0.0553","0.0654","","","","","","0.868","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015454","14.2518","0.0003","16.6754","0.0003","20.8743","0.0003","90","","90","","90","","4960.87","0.15","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C72 H180 Cl36 K12 O48 P12 Pt12 S12 -","12","3","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.1899","0.0496","","","0.0547","0.0674","","","","","","0.853","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015455","6.3684","0.0001","11.6102","0.0001","22.743","0.0002","90","","90","","90","","1681.58","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-3,11-Dioxo-5α-androstanecarboxylic acid","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SK3023","Kikolski, Elizabeth M.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3,11-Dioxo-5α-androstanecarboxylic acid: catemeric hydrogen bonding in a steroidal diketo acid","Acta Crystallographica Section C","2006","62","7","o397","o398","10.1107/S0108270106017677","","","1.54178","CuKα","","0.04","0.035","","","0.082","0.085","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015456","9.1114","0.0004","22.6016","0.001","7.5004","0.0003","90","","111.971","0.003","90","","1432.4","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,3-bis(bromomethyl)benzene","","- C8 H7 Br3 -","- C8 H7 Br3 -","- C48 H42 Br18 -","6","1.5","SK3024","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","2-Bromo-1,3-bis(bromomethyl)benzene, with <i>Z</i>' = 1.5: whole-molecule disorder of one of the two independent molecules","Acta Crystallographica Section C","2006","62","7","o376","o378","10.1107/S0108270106017707","","","0.71073","MoKα","","0.1093","0.0839","","","0.2286","0.2534","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015457","11.1848","0.0004","7.7651","0.0004","12.3611","0.0005","90","","107.417","0.003","90","","1024.35","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.0567","0.0369","","","0.0927","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015458","4.9173","0.0002","19.8906","0.001","10.4976","0.0006","90","","92.929","0.003","90","","1025.41","0.09","298","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1524","0.0822","","","0.0936","0.1098","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015459","10.3432","0.0004","10.9105","0.0004","13.4621","0.0004","100.399","0.002","91.572","0.002","110.301","0.002","1394.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(3,4,5-Trimethoxybenzylidene)-2-thioxothaolidin-2-one","","- C13 H13 N O4 S2 -","- C13 H13 N O4 S2 -","- C52 H52 N4 O16 S8 -","4","2","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1354","0.0632","","","0.0981","0.1187","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015460","12.168","0.0002","18.6695","0.0004","9.0443","0.0002","90","","100.03","0.002","90","","2023.2","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-Iodo-N,N-bis(2-nitrophenylsulfonyl)aniline","4-iodophenylimino bis(2-nitrobenzenesulfinate)","","- C18 H12 I N3 O8 S2 -","- C18 H12 I N3 O8 S2 -","- C72 H48 I4 N12 O32 S8 -","4","1","SK3028","Low, John N.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","4-Iodo-<i>N</i>,<i>N</i>-bis(2-nitrophenylsulfonyl)aniline: a three-dimensional framework structure built from six independent C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","7","o423","o425","10.1107/S0108270106019408","","","0.71073","MoKα","","0.0387","0.0286","","","0.0629","0.0667","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015461","9.2957","0.0004","27.5905","0.0013","11.0084","0.0005","90","","93.83","0.002","90","","2817.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline","","- C13 H8 I N3 O5 -","- C13 H8 I N3 O5 -","- C104 H64 I8 N24 O40 -","8","2","SK3030","Low, John N.; Skakle, Janet M. S.; Garden, Simon J.; Wardell, James L.; Glidewell, Christopher","<i>N</i>-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline: conformational isomers linked into complex sheets by five C—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2006","62","7","o441","o443","10.1107/S0108270106020373","","","0.71073","MoKα","","0.1619","0.05","","","0.0716","0.0925","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015462","8.6765","0.0007","9.0833","0.0006","11.2901","0.0009","73.87","0.005","82.182","0.004","65.147","0.003","775.41","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C30 H42 N6 O8 -","2","1","SK3031","Low, John N.; Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Glidewell, Christopher","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2006","62","7","o444","o446","10.1107/S0108270106020634","","","0.71073","MoKα","","0.1382","0.0635","","","0.1415","0.1731","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015463","10.641","0.006","7.292","0.004","19.943","0.011","90","","90.001","0.012","90","","1547.5","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-adamantylgermatrane","1-adamantyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane","","- C16 H27 Ge N O3 -","- C16 H27 Ge N O3 -","- C64 H108 Ge4 N4 O12 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.051","0.0376","","","0.0969","0.1077","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015464","9.4398","0.0013","16.69","0.002","10.3361","0.0016","90","","97.74","0.003","90","","1613.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(germatran-1-yl)methyl] N-cyclohexylcarbamate","(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl N-cyclohexylcarbamate","","- C14 H26 Ge N2 O5 -","- C14 H26 Ge N2 O5 -","- C56 H104 Ge4 N8 O20 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.0751","0.0472","","","0.1009","0.1079","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015465","11.1308","0.0006","10.4656","0.0005","13.6747","0.0007","90","","115.152","0.004","90","","1441.93","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyloxime)-κ^2^N^2^,N^6^]copper(II)","","- C11 H15 Cl2 Cu N3 O2 -","- C11 H15 Cl2 Cu N3 O2 -","- C44 H60 Cl8 Cu4 N12 O8 -","4","1","SQ3022","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]copper(II)","Acta Crystallographica Section C","2006","62","7","m315","m318","10.1107/S010827010601969X","","","0.71073","MoKα","","0.0356","0.0308","","","0.0842","0.0867","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015466","12.2053","0.0011","12.3053","0.0011","18.3182","0.0017","80.629","0.006","72.455","0.006","89.961","0.006","2584.8","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","","- C16 H32 I4 N2 Pb -","- C16 H32 I4 N2 Pb -","- C64 H128 I16 N8 Pb4 -","4","2","TR3004","Billing, David G.; Lemmerer, Andreas","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","Acta Crystallographica Section C","2006","62","7","m269","m271","10.1107/S0108270106013953","","","0.71073","MoKα","","","0.0345","","","","0.0928","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015467","9.72","0.008","10.654","0.011","16.127","0.014","90","","90","","90","","1670","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzoyl-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","AV3012","Jonsson, K. Hanna M.; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2006","62","8","o447","o449","10.1107/S0108270106021603","","","1.35","synchrotron","","0.0354","0.0329","","","0.0837","0.0875","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015468","14.8167","0.0018","8.8509","0.0011","10.3631","0.0014","90","","94.9","0.01","90","","1354.1","0.3","292","3","292","3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tricobalt(II) tellurium(VI) hexaoxide","","- Co3 O6 Te -","- Co3 O6 Te -","- Co36 O72 Te12 -","12","1.5","BC3008","Becker, Richard; Johnsson, Mats; Berger, Helmuth","A new synthetic cobalt tellurate: Co~3~TeO~6~","Acta Crystallographica, Section C","2006","62","8","i53","i55","10.1107/S010827010602347X","","","0.71073","MoKα","","0.0327","0.0306","","","0.086","0.0882","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015469","10.9253","0.0002","15.6992","0.0003","8.3683","0.0002","90","","109.066","0.0011","90","","1356.58","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(2,2'-bipyridine-κ^2^N,N')(μ~2~-hydrogen phosphato)(μ~2~-dihydrogen phosphato)aluminium(III)]","","- C10 H11 Al N2 O8 P2 -","- C10 H11 Al N2 O8 P2 -","- C40 H44 Al4 N8 O32 P8 -","4","1","BG3011","Chippindale, Ann M.","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-hydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')aluminium(III)], Al(2,2'-bipy)(HPO~4~)(H~2~PO~4~), a layered inorganic‒organic hybrid material","Acta Crystallographica Section C","2006","62","8","m372","m374","10.1107/S0108270106024309","","","0.71073","MoKα","","0.0611","0.038","","0.0525","0.0414","0.0414","","","","","","1.1172","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015470","15.3025","0.0005","15.3025","0.0005","38.2467","0.0017","90","","90","","120","","7756.2","0.5","193","2","193","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","hexakis[tris(ethylenediamine-κ^2^N,N')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate, [Ni(C~2~H~8~N~2~)~3~]~6~[Cu~2~(CN)~7~]~2~[Cu(CN)~3~].9H~2~O","","- C53 H162 Cu5 N53 Ni6 O9 -","- C53 H162 Cu5 N53 Ni6 O9 -","- C159 H486 Cu15 N159 Ni18 O27 -","3","0.166667","DN3005","Juraj Kuchár; Juraj Černák; Werner Massa","Hexakis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate","Acta Crystallographica Section C","2006","62","8","m337","m339","10.1107/S0108270106015769","","","0.71073","MoKα","","0.0617","0.0362","","","0.075","0.0827","","","","","","0.893","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015471","10.119","0.002","11.212","0.002","19.17","0.004","90","","105.26","0.03","90","","2098.2","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamide]nickelate(II) monohydrate","","- C12 H28 N12 Ni2 O5 -","- C12 H28 N12 Ni2 O5 -","- C48 H112 N48 Ni8 O20 -","4","0.5","DN3007","Andrey I. Buvaylo; Nikolay M. Dudarenko; Igor O. Fritsky; Jolanta Świątek-Kozłowska","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamidato]nickelate(II) monohydrate","Acta Crystallographica Section C","2006","62","8","m331","m333","10.1107/S0108270106022323","","","0.71073","MoKα","","0.0378","0.0335","","","0.0791","0.082","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015472","12.2857","0.0001","12.2857","0.0001","26.1898","0.0002","90","","90","","90","","3953.05","0.05","100","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1S,2R)-bornane-10,2-sultam 0.15-hydrate","","- C18 H26.302 N4 O5.151 S -","- C18 H26.302 N4 O5.151 S -","- C144 H210.416 N32 O41.208 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0296","","","","0.0773","","","","","","1.027","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2015473","12.2794","0.0002","12.2794","0.0002","26.3417","0.0005","90","","90","","90","","3971.9","0.12","100","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-[(3S)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1R,2S)-bornane-10,2-sultam 0.35-hydrate","","- C18 H26.697 N4 O5.3485 S -","- C18 H26.697 N4 O5.3485 S -","- C144 H213.576 N32 O42.788 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0377","","","","0.0935","","","","","","0.977","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2015474","29.149","0.004","5.139","0.004","14.498","0.004","90","","110.9","0.02","90","","2028.9","1.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-chloroacetyl-6-aminohexanoic acid","6-(2-Chloroacetamido)hexanoic acid","","- C8 H14 Cl N O3 -","- C8 H14 Cl N O3 -","- C64 H112 Cl8 N8 O24 -","8","2","DN3018","Gastone, Carolina; Puiggalí, Jordi; Font-Bardia, Mercè; Urpí, Lourdes","6-(2-Chloroacetamido)hexanoic acid","Acta Crystallographica Section C","2006","62","8","o498","o500","10.1107/S0108270106022827","","","0.71073","MoKα","","0.0896","0.0483","","","0.1167","0.1323","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015475","8.121","0.003","9.299","0.004","12.532","0.005","90","","91.21","0.02","90","","946.2","0.7","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","","- C15 H26.26 N3 O7.63 -","- C15 H26.256 N3 O7.628 -","- C30 H52.512 N6 O15.256 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.5","synchrotron","","0.0249","0.0244","","","0.0673","0.0675","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015476","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.71073","MoKα","","0.0297","0.029","","","0.0769","0.0773","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015477","6.7404","0.0014","13.298","0.003","20.954","0.004","90","","90.331","0.003","90","","1878.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dimethyl sulfoxide solvate","","- C17 H17 Cl2 N3 O Pt S -","- C17 H17 Cl2 N3 O Pt S -","- C68 H68 Cl8 N12 O4 Pt4 S4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0486","0.0321","","","0.0637","0.0676","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015478","6.9085","0.0006","17.0822","0.0015","13.8402","0.0012","90","","98.586","0.002","90","","1615","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dihydrate","","- C15 H15 Cl2 N3 O2 Pt -","- C15 H15 Cl2 N3 O2 Pt -","- C60 H60 Cl8 N12 O8 Pt4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0549","0.0454","","","0.1273","0.1332","","","","","","1.01","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2015479","7.8683","0.0004","19.4979","0.0012","9.1273","0.0005","90","","98.968","0.003","90","","1383.15","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","FG3021","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate: formation of corrugated sheets from <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(16) rings","Acta Crystallographica Section C","2006","62","8","o476","o477","10.1107/S0108270106020580","","","0.71073","MoKα","","0.0985","0.0576","","","0.1186","0.1328","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015480","10.375","0.001","10.532","0.001","10.893","0.001","90","","103.61","0.001","90","","1156.85","0.19","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-[Aqua-chloro-(1R,4R,8S,11S-trans-6,13-diazonium-6,13-dimethyl- 1,4,8,11-tetraazacyclortetradecane-κ^4^ N^1,4,8,11^)nickel(II)] trichloride trihydrate","","- C12 H40 Cl4 N6 Ni O4 -","- C12 H40 Cl4 N6 Ni O4 -","- C24 H80 Cl8 N12 Ni2 O8 -","2","1","GA3002","Neil F. Curtis; Rebekah Pawley; Ward T. Robinson","<i>trans</i>-Aquachloro[(1<i>R</i>,4<i>R</i>,8<i>S</i>,11<i>S</i>)-6,13-diammonio-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1,4,8,11^]nickel(II) trichloride trihydrate","Acta Crystallographica Section C","2006","62","8","m352","m354","10.1107/S0108270106010407","","","0.71073","MoKα","","0.0167","0.0164","","","0.0392","0.0395","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015481","15.6582","0.0007","10.638","0.0006","11.1041","0.0005","90","","98.238","0.004","90","","1830.55","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-[(E)-o-tolyldiazenyl]cyclohexa-2,4-dienone","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","GA3007","Ersanlı, Cem Cüneyt; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy-4-[(<i>E</i>)-<i>o</i>-tolyldiazenyl]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2006","62","8","o483","o485","10.1107/S010827010602052X","","","0.71073","MoKα","","0.06","0.035","","","0.082","0.089","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015482","8.8863","0.0004","22.3787","0.001","16.1281","0.0007","90","","106.47","0.001","90","","3075.7","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu~2~(pht)~2~(im)~2~(H~2~O)].H~2~O","Poly[[aquatetraimidazoledi-μ~2~-phthalato-dicopper(II)] monohydrate]","","- C28 H28 Cu2 N8 O10 -","- C28 H28 Cu2 N8 O10 -","- C112 H112 Cu8 N32 O40 -","4","1","GA3009","Xu-Cheng Fu; Xiao-Yan Wang; Ming-Tian Li; Cheng-Gang Wang; Xiao-Tao Deng","Poly[[aquatetraimidazoledi-μ-phthalato-dicopper(II)] monohydrate]","Acta Crystallographica Section C","2006","62","8","m343","m345","10.1107/S0108270106019068","","","0.71073","MoKα","","0.0529","0.0405","","","0.0919","0.096","","","","","","0.95","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015483","16.858","0.002","7.449","0.002","23.312","0.007","90","","94.39","0.015","90","","2918.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","1","GA3010","E. B. Seena; E. Manoj; M. R. Prathapachandra Kurup","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","Acta Crystallographica Section C","2006","62","8","o486","o488","10.1107/S0108270106014776","","","0.71073","MoKα","","0.0471","0.0331","","","0.089","0.0947","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015484","7.352","0.002","4.0181","0.0011","13.901","0.004","90","","101.426","0.01","90","","402.51","0.19","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C12 H8 S8 -","2","0.5","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0346","0.0276","","","0.0603","0.0653","","","","","","1.124","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015485","14.641","0.003","3.933","0.001","13.832","0.003","90","","100.98","0.01","90","","781.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0333","0.0247","","","0.0598","0.0664","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015486","14.625","0.003","3.909","0.001","13.812","0.003","90","","100.9","0.01","90","","775.4","0.3","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2,2'-bis(1,3-dithiole), low-temparature (γ) phase","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0266","0.0217","","","0.0554","0.0595","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015487","43.062","0.009","6.877","0.002","11.979","0.002","90","","101.06","0.02","90","","3481.5","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","AZO33","3,3'-[4-(4-nitrophenyldiazenyl)phenylimino]dipropionic acid","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","GD3032","Roberto Centore; Antonio Carella; Andrea Pugliese; Augusto Sirigu; Angela Tuzi","Double-helix pattern in a model compound of non-linear optical polymers","Acta Crystallographica Section C","2006","62","8","o531","o533","10.1107/S0108270106025108","","","0.71073","MoKα","","0.1996","0.0699","","","0.1254","0.1676","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015488","3.553","0.0016","9.693","0.004","16.345","0.007","90","","95.748","0.006","90","","560.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanine","2-amino-1,7-dihydro-6H-purin-6-one","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","GD3036","Guille, Kathy; Clegg, William","Anhydrous guanine: a synchrotron study","Acta Crystallographica Section C","2006","62","8","o515","o517","10.1107/S0108270106026011","","","0.6712","synchrotron","","0.0753","0.0587","","","0.1713","0.1831","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015489","11.8539","0.0018","12.2726","0.0018","19.498","0.003","90","","90","","90","","2836.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate methanol solvate","","- C31 H34 N4 O11 -","- C31 H34 N4 O11 -","- C124 H136 N16 O44 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0704","0.0528","","","0.0884","0.0941","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015490","7.1733","0.0018","19.1","0.002","21.955","0.002","90","","90","","90","","3008.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinim 3,5-dintrobenzoate dimethanol solvate","","- C32 H38 N4 O12 -","- C32 H38 N4 O12 -","- C128 H152 N16 O48 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0547","0.0474","","","0.1193","0.1235","","","","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015491","8.2499","0.0008","12.5379","0.0012","29.109","0.003","90","","90","","90","","3010.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate trihydrate","","- C30 H36 N4 O13 -","- C30 H36 N4 O13 -","- C120 H144 N16 O52 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0747","0.0566","","","0.1166","0.1266","","","","","","1.119","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015492","7.2397","0.0004","7.8151","0.0005","10.9548","0.0005","86.68","0.005","80.485","0.004","78.542","0.004","598.9","0.06","173","","173","","","","","","","","","3","P -1","-P 1","2","","1,4-bis(triisopropylsilyl)buta-1,3-diyne","","- C22 H42 Si2 -","- C22 H42 Si2 -","- C22 H42 Si2 -","1","0.5","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0856","0.0495","","0.0738","0.0537","0.0537","","","","","","1.0865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015493","6.6723","0.0002","11.032","0.0003","26.0094","0.0007","90","","91.2833","0.0014","90","","1914.04","0.09","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-bis(biphenyl-4-yl)buta-1,3-diyne","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0895","0.0398","","0.0576","0.0474","0.0474","","","","","","0.9925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015494","15.2964","0.0003","17.4366","0.0002","16.832","0.0003","90","","90","","90","","4489.38","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","1","GG3030","Trilleras, Jorge; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o518","o520","10.1107/S0108270106025583","","","0.71073","MoKα","","0.0972","0.0488","","","0.1129","0.1361","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015495","12.8995","0.0006","6.8681","0.0003","26.6419","0.0013","90","","90","","90","","2360.34","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2005rm01ch01","β-Lapachone","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","GZ3007","Cunha-Filho, Marcilio S. S; Landin, Mariana; Martinez-Pacheco, Ramon; Dacunha-Marinho, Bruno","β-Lapachone","Acta Crystallographica Section C","2006","62","8","o473","o475","10.1107/S0108270106021706","","","1.5418","CuKα","","0.0619","0.061","","","0.1691","0.1703","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015496","10.3497","0.0014","10.9934","0.0015","15.751","0.002","95.65","0.006","95.734","0.006","111.408","0.005","1642.4","0.4","294","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(aminodiethylammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","","- C8 H40 Mo5 N6 O27 P2 -","- C8 H40 Mo5 N6 O27 P2 -","- C16 H80 Mo10 N12 O54 P4 -","2","1","GZ3012","Feng Geng; Guo-Hua Han; Bi-Zhou Lin","Bis(iminodiethylenediammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","Acta Crystallographica Section C","2006","62","8","m355","m357","10.1107/S0108270106023092","","","0.71069","MoKα","","0.0361","0.0346","","","0.0902","0.0917","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015497","17.1216","0.0012","7.3269","0.0005","14.3494","0.001","90","","113.259","0.001","90","","1653.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-methylthio-8-azaxanthine","5-Methylsulfanyl-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(8H)-one monohydrate","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C40 H56 N40 O16 S8 -","8","1","HJ3007","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","5-Methylsulfanyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one (2-methylthio-8-azaxanthine) monohydrate","Acta Crystallographica Section C","2006","62","8","o489","o491","10.1107/S0108270106022359","","","0.71073","MoKα","","0.061","0.059","","","0.125","0.126","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015498","8.1427","0.0005","18.3212","0.0014","27.303","0.003","90","","90","","90","","4073.2","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2)","","- C44 H46 Cl4 N2 Ru2 -","- C44 H46 Cl4 N2 Ru2 -","- C176 H184 Cl16 N8 Ru8 -","4","0.5","HJ3009","Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan","A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings","Acta Crystallographica Section C","2006","62","8","m346","m348","10.1107/S0108270106020543","","","0.71073","MoKα","","0.0551","0.0314","","","0.0679","0.0725","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015499","9.8232","0.0007","10.3192","0.0007","11.1465","0.0008","76.431","0.005","86.74","0.006","70.527","0.005","1035.25","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Propynylferrocene","","- C13 H12 Fe -","- C13 H12 Fe -","- C52 H48 Fe4 -","4","2","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0308","0.0267","","","0.0718","0.0739","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015500","8.7368","0.0009","10.6296","0.0015","15.1113","0.0016","90","","105.327","0.008","90","","1353.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Phenylethynyl)ferrocene","","- C18 H14 Fe -","- C18 H14 Fe -","- C72 H56 Fe4 -","4","1","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0512","0.0291","","","0.0643","0.0694","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015501","9.964","0.002","11.565","0.002","19.882","0.004","90","","90","","90","","2291.1","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1- phenylpropylammonium chloride"