# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T11:34:25+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Nature Chemistry') AND volume = 7 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
"1520105","12.6007","0.0004","16.0006","0.0005","17.3353","0.0005","106.074","0.0015","101.073","0.0016","92.406","0.0016","3279.14","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H80 N4 O18 -","- C72 H80 N4 O18 -","- C144 H160 N8 O36 -","2","1","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","1.54178","CuKα","","0.1118","0.0771","","","0.1941","0.2207","","","","","","1.022","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520106","33.03","0.004","33.03","0.004","28.099","0.004","90","","90","","120","","26548","6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C224 H273 B3 F12 N12 O66 Zn8 -","- C192 H180 N12 O50 Zn8 -","- C576 H540 N36 O150 Zn24 -","3","0.166667","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","0.71073","MoKα","","0.1311","0.0782","","","0.2135","0.2814","","","","","","0.997","","","","has coordinates,has disorder","192145","2020-10-21","18:00:00",""
"1551319","20.1798","0.0008","20.1798","0.0008","20.1798","0.0008","90","","90","","90","","8217.7","0.6","100","2","100","","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H62 N8 O16 -","- C30 H36 N8 O16 -","- C240 H288 N64 O128 -","8","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71075","MoKα","","0.0627","0.057","","","0.1809","0.1854","","","","","","1.48","","","","has coordinates","215816","2020-10-21","18:00:00",""
"1551320","23.6949","0.0013","13.4437","0.0007","18.9583","0.0011","90","","98.83","0.002","90","","5967.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H69 N11 -","- C72 H65.7968 N11 -","- C288 H263.187 N44 -","4","0.5","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0916","0.0702","","","0.1828","0.2027","","","","","","1.031","","","","has coordinates,has disorder","215817","2020-10-21","18:00:00",""
"1551321","20.792","0.004","20.792","0.004","45.156","0.009","90","","90","","120","","16906","6","400","","400","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0925","0.0742","","","0.2008","0.229","","","","","","1.053","","","","has coordinates,has disorder","215818","2020-10-21","18:00:00",""
"1551322","20.804","0.003","20.804","0.003","45.126","0.007","90","","90","","120","","16914","4","400","2","450","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H234 N35 -","- C648 H702 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0892","0.0678","","","0.1934","0.2233","","","","","","1.025","","","","has coordinates,has disorder","215819","2020-10-21","18:00:00",""
"1551323","20.4108","0.0007","20.4108","0.0007","44.6718","0.0017","90","","90","","120","","16117","1","100","","100","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0524","0.0433","","","0.1164","0.1232","","","","","","1.057","","","","has coordinates,has disorder","215820","2020-10-21","18:00:00",""
"1551324","20.6365","0.0016","20.6365","0.0016","44.899","0.004","90","","90","","120","","16559","2","300","","300","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0865","0.046","","","0.1236","0.1546","","","","","","1.081","","","","has coordinates,has disorder","215821","2020-10-21","18:00:00",""
"1551325","20.718","0.002","20.718","0.002","44.992","0.005","90","","90","","120","","16725","3","300","","300","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C218.02 H246.5 Cl1.5 N35 O1.5 -","- C218.02 H240.5 Cl1.5 N35 O0.84 -","- C654.06 H721.5 Cl4.5 N105 O2.52 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0963","0.0737","","","0.2022","0.2282","","","","","","1.055","","","","has coordinates,has disorder","215822","2020-10-21","18:00:00",""
"1551326","20.6071","0.0011","20.6071","0.0011","44.949","0.003","90","","90","","120","","16530.4","1.7","293","","293","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.6889","Synchrotron","","0.0798","0.0583","","","0.161","0.1801","","","","","","1.036","","","","has coordinates,has disorder","215823","2020-10-21","18:00:00",""
"1551327","20.5397","0.0011","20.5397","0.0011","44.747","0.003","90","","90","","120","","16348.7","1.7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C226 H268 Cl6 N35 O8 -","- C223.93 H260 Cl6 N35 O8.02 -","- C671.79 H780 Cl18 N105 O24.06 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0745","0.0662","","","0.19","0.2001","","","","","","1.062","","","","has coordinates,has disorder","215824","2020-10-21","18:00:00",""
"1551328","21.7305","0.0017","19.737","0.0015","22.9973","0.0017","90","","105.506","0.002","90","","9504.4","1.3","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C80 H119 Cl2 N12 O9.5 -","- C79.75 H114 Cl1.75 N12 O9.5 -","- C319 H456 Cl7 N48 O38 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0943","0.0869","","","0.2458","0.2563","","","","","","1.017","","","","has coordinates,has disorder","215825","2020-10-21","18:00:00",""
"1551329","21.644","0.0009","19.7822","0.0008","23.2696","0.0015","90","","105.704","0.001","90","","9591.4","0.8","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C83 H137 N12 O15 -","- C83 H129 N12 O15 -","- C332 H516 N48 O60 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1234","0.1152","","","0.3264","0.3387","","","","","","1.6","","","","has coordinates,has disorder","215826","2020-10-21","18:00:00",""
"1551330","33.883","0.008","20.467","0.005","25.712","0.006","90","","95.249","0.008","90","","17756","7","300","2","300","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C576 H672 N96 -","8","2","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1186","0.0907","","","0.2331","0.2673","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551331","34.692","0.002","19.8867","0.0013","26.6702","0.0018","90","","93.334","0.002","90","","18369","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155.5 H234 Cl N24 O21.5 -","- C155.5 H213 Cl N24 O21.375 -","- C622 H852 Cl4 N96 O85.5 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.1071","0.0977","","","0.2645","0.2748","","","","","","1.052","","","","has coordinates,has disorder","215828","2020-10-21","18:00:00",""
"1551332","34.796","0.003","19.8984","0.0014","26.7636","0.0018","90","","93.452","0.002","90","","18497","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C154 H208.5 Cl9 N24 O11.75 -","- C154 H199 Cl9 N24 O11.75 -","- C616 H796 Cl36 N96 O47 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1833","0.1641","","","0.4202","0.4368","","","","","","1.94","","","","has coordinates,has disorder","215829","2020-10-21","18:00:00",""
"1551333","15.8532","0.0007","15.8532","0.0007","33.088","0.002","90","","90","","120","","7201.7","0.6","100","","100","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C108 H252 N24 O45 -","- C108 H162 N24 O45 -","- C216 H324 N48 O90 -","2","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1342","0.1156","","","0.3141","0.3388","","","","","","1.426","","","","has coordinates,has disorder","288467","2023-12-21","09:11:23",""
"1551384","17.018","0.003","19.782","0.004","33.512","0.007","81.76","0.03","88.25","0.03","82.41","0.03","11067","4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C206 H209 N40 O40 -","- C205.5 H208.5 N40.5 O40 -","- C411 H417 N81 O80 -","2","2","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.8","synchrotron","","0.2522","0.1217","","","0.2979","0.4099","","","","","","1.135","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551385","24.443","0.0006","21.3714","0.0005","46.5745","0.001","90","0.001","101.926","0.001","90","0.001","23804.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C206 H210 N40 O40 -","- C206 H210 N40 O40 -","- C824 H840 N160 O160 -","4","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.2254","0.1677","","","0.4601","0.5103","","","","","","1.47","","","","has coordinates","215914","2020-10-21","18:00:00",""
"1551386","29.18","0.006","31.72","0.006","32.14","0.006","69.39","0.03","73.89","0.03","68.09","0.03","25465","11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C412 H420 N80 O82 -","- C412 H420 N80 O82 -","- C824 H840 N160 O164 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.78","synchrotronradiation","","0.1761","0.138","","","0.4015","0.4328","","","","","","1.706","","","","has coordinates","215915","2020-10-21","18:00:00",""
"1551387","20.683","","24.6762","0.0001","25.9639","0.0019","117.362","0.003","93.86","0.008","103.065","0.006","11237.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C205 H206 N40 O45 -","- C205 H206 N40 O40 -","- C410 H412 N80 O80 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54148","CuKα","","0.2346","0.1719","","","0.4644","0.5136","","","","","","1.35","","","","has coordinates","215916","2020-10-21","18:00:00",""
"1551388","17.5372","0.0014","19.8099","0.0016","33.578","0.003","105.041","0.003","90.103","0.002","108.356","0.003","10648","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C188 H186 Cl0 F N36 O36 -","- C188 H186 F N36 O36 -","- C376 H372 F2 N72 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.1906","0.1538","","","0.3813","0.4228","","","","","","1.437","","","","has coordinates","215917","2020-10-21","18:00:00",""
"1551389","17.554","0.004","19.747","0.004","33.398","0.007","74.98","0.03","89.62","0.03","71.99","0.03","10600","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C191 H189 Cl6 F2 N35 O36 -","- C191 H189 Cl6 F2 N35 O36 -","- C382 H378 Cl12 F4 N70 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.85043","synchrotronradiationESRFFIP","","0.1571","0.1265","","","0.3559","0.379","","","","","","1.527","","","","has coordinates","215918","2020-10-21","18:00:00",""
"1551415","16.0089","0.0007","25.8622","0.001","29.879","0.0011","89.88","0.002","89.852","0.002","72.396","0.002","11791.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H146 Br8 Cl17 Fe6.5 N40 O21 -","- C194 H144 Br8 Cl17 Fe6.5 N40 O21 -","- C388 H288 Br16 Cl34 Fe13 N80 O42 -","2","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1088","0.0751","","","0.2218","0.2426","","","","","","1.053","","","","has coordinates,has disorder","215953","2020-10-21","18:00:00",""
"1551416","33.0443","0.0019","19.184","0.0011","41.84","0.002","90","","111.339","0.002","90","","24705","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C196 H165 Cl12 Fe6 N35 O24 -","- C196 H165 Cl12 Fe6 N35 O24 -","- C784 H660 Cl48 Fe24 N140 O96 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1228","0.0919","","","0.2458","0.2713","","","","","","1.02","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"1551417","42.114","0.003","54.516","0.003","14.0878","0.0009","90","","107.763","0.004","90","","30802","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C768 H600 F96 Fe24 N144 O48 P16 S24 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.2051","0.1411","","","0.3353","0.3902","","","","","","1.231","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551418","59.465","0.005","16.8956","0.0015","62.436","0.005","90","","116.189","0.003","90","","56290","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C1872 H1872 Br102 Fe48 K6 N240 O338 -","8","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1586","0.1243","","","0.3352","0.3586","","","","","","1.392","","","","has coordinates,has disorder","215956","2020-10-21","18:00:00",""
"1551453","14.8228","0.00013","14.8228","0.00013","11.7919","0.0001","90","","90","","90","","2590.86","0.04","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-4C2H2","- C24 H16 Al2 O10 -","- C24 H16 Al2 O10 -","- C96 H64 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","1.73","","","","has coordinates","216022","2020-10-21","18:00:00",""
"1551454","14.80469","0.000033","14.80469","0.000033","11.801726","0.000035","90","","90","","90","","2586.69","0.011","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-2.5C2H4","- C21 H18 Al2 O10 -","- C21.0688 H18.1376 Al2 O10 -","- C84.2752 H72.5504 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","2.74","","","","has coordinates","216023","2020-10-21","18:00:00",""
"1551455","14.785355","0.000083","14.785355","0.000083","11.77396","0.00015","90","","90","","90","","2573.87","0.04","","","100","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D2","- C21.4 H8 Al2 D5.4 O10 -","- C21.0068 H8 Al2 D5.0068 O10 -","- C84.0272 H32 Al8 D20.0272 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.006","","","","3.31","","","","has coordinates","216024","2020-10-21","18:00:00",""
"1551456","14.794232","0.000096","14.794232","0.000096","11.77851","0.00018","90","","90","","90","","2577.95","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D4","- C19.6 H8 Al2 D7.2 O10 -","- C19.6416 H8 Al2 D7.2832 O10 -","- C78.5664 H32 Al8 D29.1328 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.015","","","","3.83","","","","has coordinates","216025","2020-10-21","18:00:00",""
"1551457","14.79549","0.00011","14.79549","0.00011","11.77847","0.0002","90","","90","","90","","2578.38","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D6","- C18.6 H8 Al2 D6.8 O10 -","- C18.7776 H8 Al2 D8.3328 O10 -","- C75.1104 H32 Al8 D33.3312 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.014","","","","4.17","","","","has coordinates","216026","2020-10-21","18:00:00",""
"1551478","38.1839","0.0002","38.1839","0.0002","57.9645","0.0004","90","","90","","120","","73190.3","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper bromide","","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C2394 H2160 Br108 Cu54 N162 O567 S63 -","9","0.5","","Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie","An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links","Nature Chemistry","2015","7","","526","531","10.1038/nchem.2259","","","1.54184","CuKα","","0.1369","0.1302","","","0.3568","0.3698","","","","","","1.808","","","","has coordinates,has disorder","216050","2020-10-21","18:00:00",""
"1551538","11.726","0.003","17.511","0.005","17.758","0.005","90","","90","","90","","3646.3","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl F3 N2 -","- C45 H34 Cl F3 N2 -","- C180 H136 Cl4 F12 N8 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0767","0.0621","","","0.1447","0.1553","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551539","11.095","0.003","15.395","0.005","16.048","0.007","86.404","0.019","88.39","0.02","71.517","0.018","2594.5","1.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 Cl3 F3 N O2 Si -","- C56 H57 Cl3 F3 N O2 Si -","- C112 H114 Cl6 F6 N2 O4 Si2 -","2","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1163","0.0888","","","0.2479","0.2685","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551540","7.973","0.0018","24.778","0.005","15.926","0.004","90","","101.836","0.005","90","","3079.4","1.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F3 O -","- C40 H33 F3 O -","- C160 H132 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1146","0.073","","","0.1845","0.2393","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551541","8.6566","0.0007","19.9388","0.0016","22.106","0.002","90","","90","","90","","3815.5","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 F3 O -","- C50 H41 F3 O -","- C200 H164 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0602","0.0507","","","0.1289","0.1399","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551542","16.718","0.004","12.216","0.003","16.184","0.004","90","","99","0.006","90","","3264.5","1.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H33 F3 N2 O -","- C40 H33 F3 N2 O -","- C160 H132 F12 N8 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.117","0.0699","","","0.1675","0.2285","","","","","","1.085","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551844","23.6365","0.0015","23.6365","0.0015","7.1651","0.0006","90","","90","","90","","4003","0.5","295.65","","295.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1a","tetrakis(4-((E)-phenyldiazenyl)phenyl)methane","","- C49 H36 N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.1546","0.0611","","","0.1585","0.1836","","","","","","0.85","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551845","24.2515","0.0011","24.2515","0.0011","7.7078","0.0005","90","","90","","90","","4533.2","0.4","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form I","","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.2338","0.066","","","0.1519","0.2275","","","","","","0.941","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1551846","24.072","0.002","24.072","0.002","7.4555","0.0012","90","","90","","90","","4320.2","0.9","297.65","","297.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form II","tetrakis(4-((E)-p-tolyldiazenyl)phenyl)methane","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.3267","0.0903","","","0.1848","0.2853","","","","","","0.955","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551847","20.205","0.005","20.205","0.005","7.278","0.002","90","","90","","90","","2971.2","1.3","296","","296","","","","","","","","","3","I -4","I -4","82","E4-1c","tetrakis(4-((E)-(4-(tert-butyl)phenyl)diazenyl)phenyl)methane","","- C16.25 H17 N2 -","- C16.25 H17 N2 -","- C130 H136 N16 -","8","1","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.4675","0.1362","","","0.266","0.4348","","","","","","0.94","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551923","19.4062","0.0015","30.4471","0.0016","19.8996","0.0008","90","","101.576","0.006","90","","11518.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H72 Cl6 N18 O27 -","- C80.5 H74 Cl2 N14 O11 -","- C322 H296 Cl8 N56 O44 -","4","1","","Hao Li; Huacheng Zhang; Aaron D. Lammer; Ming Wang; Xiaopeng Li; Vincent M. Lynch; Jonathan L. Sessler","Quantitative self-assembly of a purely organic three-dimensional catenane in water","Nature Chemistry","2015","7","","1003","1008","10.1038/nchem.2392","","","1.54184","CuKα","","0.2648","0.144","","","0.4037","0.451","","","","","","1.031","","","","has coordinates","216652","2020-10-21","18:00:00",""
"1551959","7.0956","0.0002","11.5517","0.0003","24.171","0.0017","90","","90","","90","","1981.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez","Synthesis of marmycin A and investigation into its cellular activity","Nature Chemistry","2015","7","","744","751","10.1038/nchem.2302","","","1.54187","CuKα","","0.1324","0.0612","","","0.1471","0.2174","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551960","9.8002","0.0008","11.4061","0.001","30.952","0.003","90","","90","","90","","3459.9","0.5","100","2","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C34.48 H34.96 Cl0.96 O14 -","- C34.478 H34.956 Cl0.956 O14 -","- C137.912 H139.824 Cl3.824 O56 -","4","0.5","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0398","0.0394","","","0.1254","0.1259","","","","","","1.217","","","","has coordinates,has disorder","216724","2020-10-21","18:00:00",""
"1551961","11.3036","0.0004","15.895","0.0005","11.5465","0.0004","90","","111.075","0.001","90","","1935.8","0.11","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O16 -","- C40 H42 O16 -","- C80 H84 O32 -","2","1","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0272","0.027","","","0.074","0.0741","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1551962","20.8958","0.0002","12.54925","0.00011","16.04531","0.00016","90","","90","","90","","4207.51","0.07","120","2","120","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1377","0.1376","","","0.3172","0.3173","","","","","","1.185","","","","has coordinates","216726","2020-10-21","18:00:00",""
"1551963","16.04632","0.00014","12.55844","0.00013","20.9096","0.0002","90","","90","","90","","4213.63","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1059","0.1052","","","0.2533","0.2537","","","","","","1.302","","","","has coordinates,has disorder","216727","2020-10-21","18:00:00",""
"1551964","16.2073","0.0003","19.3582","0.0003","24.0982","0.0004","90","","104.211","0.0018","90","","7329.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H116 As K N4 O10 Si3 U -","- C61 H116 As K N4 O10 Si3 U -","- C244 H464 As4 K4 N16 O40 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0756","0.0652","","","0.1762","0.1859","","","","","","1.031","","","","has coordinates,has disorder","216728","2020-10-21","18:00:00",""
"1551965","17.84985","0.00019","34.2192","0.0003","32.8697","0.0003","90","","97.2734","0.0009","90","","19915.5","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40.4 H82.5 As K2 N4 Si3 U -","- C37.5 H79.5 As K2 N4 Si3 U -","- C600 H1272 As16 K32 N64 Si48 U16 -","16","4","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1293","0.1266","","","0.3242","0.3264","","","","","","1.043","","","","has coordinates,has disorder","279817","2022-12-09","07:50:40",""
"1551966","15.3188","0.0003","18.8965","0.0004","24.8556","0.0003","88.3008","0.0013","89.3347","0.0014","68.8052","0.0019","6705.3","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H115.5 As K N6 O6 Si3 U -","- C51 H112 As K N6 O6 Si3 U -","- C204 H448 As4 K4 N24 O24 Si12 U4 -","4","2","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0577","0.053","","","0.1422","0.1471","","","","","","0.962","","","","has coordinates,has disorder","279817","2022-12-09","07:50:46",""
"1551967","13.1907","0.0004","20.1898","0.0005","22.7981","0.0006","90","","105.065","0.003","90","","5862.9","0.3","120","2","120","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C101 H198 As3 K N8 O10 Si6 U2 -","- C101 H198 As3 K N8 O10 Si6 U2 -","- C202 H396 As6 K2 N16 O20 Si12 U4 -","2","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0717","0.0634","","","0.1608","0.1668","","","","","","1.042","","","","has coordinates,has disorder","216731","2020-10-21","18:00:00",""
"1551968","5.556","0.008","5.842","0.008","10.511","0.017","90","","93.54","0.04","90","","340.5","0.9","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 F6 -","- C6 H6 F6 -","- C12 H12 F12 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.0639","0.0604","","","0.1496","0.1519","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551969","11.166","0.003","12.913","0.003","8.653","0.003","90","","90","","90","","1247.6","0.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0374","0.0344","","","0.0742","0.0768","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551970","11.4368","0.0014","11.7139","0.0014","10.7701","0.0013","90","","90","","90","","1442.9","0.3","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H8 F4 O2 -","- C6 H8 F4 O2 -","- C48 H64 F32 O16 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.028","0.0276","","","0.0701","0.0704","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551971","5.7119","0.0015","5.5655","0.0015","11.244","0.003","90","","93.724","0.008","90","","356.69","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F5 O -","- C6 H7 F5 O -","- C12 H14 F10 O2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.1095","0.0659","","","0.1286","0.1451","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551972","5.6059","0.0014","7.4253","0.0017","13.076","0.003","90","","97.192","0.003","90","","540","0.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F8 O3 S -","- C7 H6 F8 O3 S -","- C14 H12 F16 O6 S2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0533","0.0522","","","0.1251","0.1257","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:25",""