Crystallography Open Database
Search results
Result: there are 1146 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'IuCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1550456 | CIF | C24 H38 N2 O9 | P 1 21 1 | 6.07189; 32.9414; 7.1383 90; 114.168; 90 | 1302.63 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550457 | CIF | C10 H16 N2 O4 | P 1 21 1 | 6.0401; 29.3553; 7.3828 90; 112.806; 90 | 1206.7 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550520 | CIF Paper | C12 H16 N4 O6 | P 1 21/c 1 | 14.0525; 7.8134; 12.8242 90; 91.848; 90 | 1407.34 | Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6 |
| 1550521 | CIF Paper | C12 H14 N4 O5 | P 1 21/c 1 | 6.8711; 15.119; 11.884 90; 91.858; 90 | 1233.9 | Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6 |
| 1550522 | CIF Paper | C12 H14 N4 O5 | P 1 21/c 1 | 13.2706; 7.651; 13.1269 90; 102.097; 90 | 1303.22 | Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6 |
| 1551103 | CIF Paper | C8 H19 N O3 | P 1 21 1 | 9.6559; 29.8416; 30.1248 90; 98.54; 90 | 8584.1 | Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates IUCrJ, 2019, 6 |
| 1551104 | CIF | C8 H19 N O3 | C 1 2 1 | 9.566; 7.44; 15.911 90; 101.54; 90 | 1109.5 | Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates IUCrJ, 2019, 6 |
| 1551412 | CIF Paper | C16 H36 N8 Ni O13 | P 21 21 21 | 8.949; 15.4457; 19.2674 90; 90; 90 | 2663.2 | Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J. Radiation damage in small-molecule crystallography: fact not fiction IUCrJ, 2019, 6 |
| 1551854 | CIF Paper | C22 H19 F3 N4 O3 S | P 1 21/n 1 | 14.5182; 8.2844; 17.8349 90; 93.899; 90 | 2140.1 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551855 | CIF | C23 H21 F3 N4 O3 S | P -1 | 10.0694; 10.6113; 12.6499 113.451; 100.897; 101.744 | 1157.9 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551856 | CIF | C24 H20 F6 N4 O3 S | P -1 | 7.4563; 13.01; 13.7231 100.17; 95.715; 104.444 | 1254.4 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551857 | CIF | C23 H21 F3 N4 O4 S | P -1 | 7.6112; 11.3462; 15.1063 105.897; 102.702; 101.93 | 1173.4 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551858 | CIF | C17 H21 Cl N3 O6.5 S | C 1 2/c 1 | 23.819; 8.4372; 23.45 90; 123.868; 90 | 3913 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551859 | CIF | C18 H22 Cl N3 O6 S | P -1 | 8.5442; 11.3615; 12.1409 63.447; 88.724; 75.712 | 1016.37 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551860 | CIF | C17 H22 Cl N3 O7 S | P 1 21/n 1 | 11.116; 8.447; 21.388 90; 93.12; 90 | 2005.3 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551861 | CIF | C12 H13 Cl N4 O5 S2 | P 1 21/c 1 | 6.8039; 13.5399; 18.8949 90; 113.113; 90 | 1601 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551862 | CIF | C12 H13 Cl N4 O5 S2 | P n a 21 | 29.442; 7.3421; 7.0867 90; 90; 90 | 1531.9 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551863 | CIF | C17 H26 Cl N5 O6 S2 | P -1 | 8.693; 10.6472; 12.8556 113.672; 98.9; 95.358 | 1060.61 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551864 | CIF | C19 H30 Cl N5 O6 S2 | P b c a | 11.8873; 19.315; 21.733 90; 90; 90 | 4990 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1552087 | CIF Paper | O192 Si96 | P n m a | 19.98; 20.43; 13.61 90; 90; 90 | 5555.48 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552088 | CIF | O192 Si96 | P n m a | 20.58; 19.6; 13.74 90; 90; 90 | 5542.28 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552089 | CIF | O192 Si96 | P n m a | 20.39; 20.08; 13.57 90; 90; 90 | 5555.98 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552090 | CIF | O128 Si64 | C m c m | 18.12; 20; 7.7 90; 90; 90 | 2790.48 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552091 | CIF | O5280 Si2640 | I m -3 m | 55.07; 55.07; 55.07 90; 90; 90 | 167011 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552092 | CIF | O2880 Si1440 | I m -3 m | 45.07; 45.07; 45.07 90; 90; 90 | 91550.9 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552093 | CIF | C192 O96.16 Ti16 Zr4 | I -4 2 m | 16.5; 16.5; 29.8 90; 90; 90 | 8113 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552292 | CIF Paper | C13 H11 N O | P c a 21 | 23.354; 5.6449; 7.7373 90; 90; 90 | 1020 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552293 | CIF | C15 H13 N O2 | P b c a | 10.5366; 7.4255; 31.091 90; 90; 90 | 2432.5 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552294 | CIF | C36 H30 I2 N2 O6 | P -1 | 9.3954; 10.055; 19.911 101.278; 92.285; 111.552 | 1702.8 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552295 | CIF | C36 H30 I2 N2 O6 | P 1 21/c 1 | 21.7663; 9.8526; 16.269 90; 102.198; 90 | 3410.2 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552296 | CIF | C26 H22 N2 O2 | I 1 2/a 1 | 19.7244; 12.392; 35.75 90; 99.796; 90 | 8610.8 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552401 | CIF Paper | C18 H26 N2 O2 | P b c a | 5.5482; 12.167; 24.556 90; 90; 90 | 1657.7 | Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6 |
| 1552402 | CIF Paper | C18 H26 N2 O2 | P 1 21/n 1 | 5.6352; 13.4281; 11.2825 90; 93.703; 90 | 852 | Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6 |
| 1552403 | CIF Paper | C11 H18 N2 O | P 21 21 21 | 5.9035; 8.3771; 21.98 90; 90; 90 | 1087 | Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6 |
| 1556577 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.223; 12.435; 5.563 90; 111.14; 90 | 336.99 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1556578 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1556579 | CIF | C2 H5 N O2 | P 31 | 7.395; 7.395; 5.75 90; 90; 120 | 272.32 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1556729 | CIF | Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6 | C 1 2/c 1 | 35.908; 27.784; 33.126 90; 96.494; 90 | 32837 | Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin IUCrJ, 2020, 7, 121-128 |
| 1556730 | CIF | C20 H24 O2 | P 21 21 21 | 9.959; 11.731; 12.842 90; 90; 90 | 1500.3 | Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112 |
| 1556731 | CIF | C21 H28 N2 O2 S | P 1 21 1 | 10.3797; 8.3706; 10.7275 90; 105.568; 90 | 897.9 | Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112 |
| 1556736 | CIF Paper | C13 H22 S Si2 | P -1 | 7.2016; 9.7603; 12.2829 95.4952; 92.51; 101.346 | 840.86 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556737 | CIF | C22 H30 S2 Si2 | C 1 2/c 1 | 34.148; 6.869; 10.3442 90; 98.343; 90 | 2400.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556738 | CIF | C22 H30 O4 S2 Si2 | P -1 | 6.8197; 12.1073; 16.1123 92.3607; 93.9781; 98.3425 | 1311.34 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556739 | CIF | C22 H30 O4 S2 Si2 | P -1 | 7.3096; 11.3935; 18.7425 73.167; 105.319; 118.926 | 1293.21 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556740 | CIF | C22 H30 O4 S2 Si2 | P -1 | 5.73; 10.2961; 10.9801 85.9433; 79.7181; 80.115 | 627.39 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556741 | CIF | C22 H32 O2 S3 Si2 | C 1 2/c 1 | 34.344; 8.1665; 20.0791 90; 100.532; 90 | 5536.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556742 | CIF | C22 H32 O2 S3 Si2 | P c c n | 33.63; 8.271; 19.717 90; 90; 90 | 5484 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556743 | CIF | C22 H30 O2 S3 Si2 | C 1 2/c 1 | 31.8766; 8.4003; 10.0737 90; 95.684; 90 | 2684.2 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556744 | CIF | C22 H30 O8 S3 Si2 | P -1 | 10.5399; 13.8276; 19.9987 79.94; 84.589; 89.771 | 2856.81 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556745 | CIF | C22 H38 S2 Si2 | P 21 21 21 | 7.7849; 10.5146; 31.2712 90; 90; 90 | 2559.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556746 | CIF | C20 H28 S3 Si2 | I 1 2/c 1 | 34.443; 6.7415; 10.1978 90; 96.889; 90 | 2350.8 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556747 | CIF | Cu1.95 Se | R -3 m :H | 4.0922; 4.0922; 20.459 90; 90; 120 | 296.71 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556748 | CIF | Cu1.95 Se | R -3 m :H | 4.1227; 4.1227; 20.449 90; 90; 120 | 301 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556749 | CIF | Cu1.95 Se | R -3 m :H | 4.1299; 4.1299; 20.393 90; 90; 120 | 301.22 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556750 | CIF | Cu1.95 Se | R -3 m :H | 4.1323; 4.1323; 20.358 90; 90; 120 | 301.06 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556751 | CIF | Cu1.95 Se | R -3 m :H | 4.1327; 4.1327; 20.281 90; 90; 120 | 299.98 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556752 | CIF | Cu1.95 Se | F m -3 m | 5.8449; 5.8449; 5.8449 90; 90; 90 | 199.678 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556753 | CIF | Cu1.94 Se | F m -3 m | 5.8538; 5.8538; 5.8538 90; 90; 90 | 200.592 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556754 | CIF | Cu1.77 Se | R -3 m :H | 4.1017; 4.1017; 20.42 90; 90; 120 | 297.52 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556755 | CIF | Cu1.89 Se | R -3 m :H | 4.1019; 4.1019; 20.533 90; 90; 120 | 299.2 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556756 | CIF | Ni Se5 Ta2 | C m c m | 3.5029; 12.8699; 15.6768 90; 90; 90 | 706.74 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556757 | CIF | Ni Se5 Ta2 | C m c m | 3.4375; 12.375; 15.4437 90; 90; 90 | 656.96 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556758 | CIF | Ni Se5 Ta2 | P m n m :2 | 3.437; 5.861; 15.512 90; 90; 90 | 312.48 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556759 | CIF | Ni Se5 Ta2 | P 1 2/n 1 | 3.437; 5.849; 15.512 90; 90.53; 90 | 311.8 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556760 | CIF | C11 H11 N O5 | P -1 | 6.5133; 8.1853; 11.4965 103.458; 93.925; 113.018 | 539.85 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556761 | CIF | C11 H11 N O6 | P -1 | 6.7358; 6.9119; 12.3937 74.468; 85.298; 73.28 | 532.43 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556762 | CIF | C18 H17 N O10 | P 1 21/c 1 | 6.7323; 12.1142; 21.2077 90; 97.146; 90 | 1716.19 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556763 | CIF | C15 H16 N2 O9 | P 21 21 21 | 7.0213; 8.8214; 25.1416 90; 90; 90 | 1557.21 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556764 | CIF | C15 H16 N2 O9 | P -1 | 4.9225; 11.7839; 13.854 97.248; 96.773; 90.663 | 791.35 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556765 | CIF | C25 H29 N O17 | P -1 | 9.3161; 11.2092; 13.7362 102.926; 104.398; 96.571 | 1332.01 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556766 | CIF | C11 H9 N O5 | P 1 21/n 1 | 10.8426; 6.5202; 16.1326 90; 106.391; 90 | 1094.16 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556767 | CIF | C11 H9 N O6 | I 1 2/a 1 | 12.5506; 6.6807; 26.1586 90; 98.815; 90 | 2167.41 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556768 | CIF | C25 H27 N O17 | P -1 | 9.3796; 10.3981; 15.6415 80.62; 72.913; 66.089 | 1331.3 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556769 | CIF | C19 H19 N O8 | P c a 21 | 40.692; 5.4524; 16.3546 90; 90; 90 | 3628.6 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556770 | CIF | C12 H13 N O6 | P -1 | 6.6761; 9.1128; 10.9447 93.397; 107.694; 108.173 | 593.92 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556771 | CIF | C18 H16 N2 O2 | C 1 2/c 1 | 18.451; 10.54; 8.157 90; 98.824; 90 | 1567.5 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556772 | CIF | C20 H20 N2 O2 | P 1 21/c 1 | 17.899; 4.8544; 9.5259 90; 101.847; 90 | 810.1 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556773 | CIF | C24 H28 N2 O2 | P 1 21/c 1 | 20.243; 4.9756; 20.839 90; 99.148; 90 | 2072.2 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556774 | CIF | C16 H14 N4 O2 | P 1 21/n 1 | 4.7315; 9.213; 16.39 90; 97.02; 90 | 709.1 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556775 | CIF | C18 H26 N4 O6 | P 1 21/c 1 | 9.353; 10.9015; 19.9985 90; 94.547; 90 | 2032.7 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556776 | CIF | C22 H30 N4 O4 | P 1 21/c 1 | 7.6364; 30.058; 4.8885 90; 95.523; 90 | 1116.9 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556777 | CIF | C16 H14 N4 O2 | P 1 21/c 1 | 10.403; 7.16; 19.202 90; 101.156; 90 | 1403.2 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556778 | CIF | C18 H18 N4 O2 | C 1 2/c 1 | 34.566; 9.3338; 10.4191 90; 100.401; 90 | 3306.3 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556779 | CIF | C18 H18 N4 O2 | P 1 21/n 1 | 4.7967; 11.547; 14.726 90; 96.451; 90 | 810.5 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556780 | CIF | C20 H26 N4 O4 | P 1 21/c 1 | 12.78; 4.681; 16.21 90; 93.42; 90 | 968 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556781 | CIF | C22 H30 N4 O4 | P 1 21/n 1 | 7.372; 4.9035; 31.586 90; 90.197; 90 | 1141.78 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556782 | CIF | C14 H12 F4 I N3 O | P 1 21/c 1 | 13.9735; 17.2451; 13.6166 90; 105.489; 90 | 3162.1 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556783 | CIF | C16 H18 Br N3 O | P -1 | 7.809; 9.6156; 11.452 101.314; 94.225; 113.541 | 761.9 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556784 | CIF | C23 H22 Br2 N2 O4 | P -1 | 9.3718; 9.6497; 14.1666 98.672; 105.769; 110.884 | 1107.38 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556785 | CIF | C14 H15 Br N2 O2 | P 1 21/c 1 | 13.5603; 8.17; 12.2863 90; 92.157; 90 | 1360.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556786 | CIF | C31 H19 F4 I N2 O4 | C 1 2 1 | 25.216; 6.0746; 19.0419 90; 107.453; 90 | 2782.5 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556787 | CIF | C17 H13 I N2 O2 | P -1 | 6.2888; 7.4027; 8.1348 84.773; 82.604; 83.781 | 372.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556788 | CIF | C19 H17 I N2 O2 | P 1 n 1 | 10.7653; 7.3634; 11.4066 90; 109.025; 90 | 854.8 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556789 | CIF | C14 H13 Br F4 N2 O | P -1 | 4.4175; 12.5878; 13.4274 80.827; 82.672; 87.809 | 730.96 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556790 | CIF | C19 H13 Br F4 N2 O2 | P -1 | 4.8727; 10.7621; 16.595 87.808; 85.332; 83.646 | 861.66 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556791 | CIF | C15 H14 F4 I N3 O | P 1 21/c 1 | 4.1573; 14.8817; 26.2084 90; 91.345; 90 | 1621.01 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556792 | CIF | C19 H14 F4 I N3 O | P 1 21/n 1 | 6.2801; 11.2226; 26.846 90; 95.661; 90 | 1882.9 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556793 | CIF | C15 H13 F4 I N2 O2 | P n a 21 | 17.5616; 14.8078; 6.1199 90; 90; 90 | 1591.47 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556794 | CIF | C17 H9 F4 I N2 O2 | P 1 21/c 1 | 12.1699; 11.1933; 12.2448 90; 104.562; 90 | 1614.42 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556795 | CIF | C26 H22 Br2 N2 O4 | P -1 | 7.1108; 7.4624; 11.2299 93.434; 94.022; 103.373 | 576.53 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!