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Information card for entry 2230122
Preview
Coordinates | 2230122.cif |
---|---|
Structure factors | 2230122.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | 3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide |
---|---|
Chemical name | 3,4-bis(4-bromophenyl)-1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione |
Formula | C22 H13 Br2 N O2 |
Calculated formula | C22 H13 Br2 N O2 |
SMILES | Brc1ccc(cc1)C1=C(C(=O)N(C1=O)c1ccccc1)c1ccc(Br)cc1 |
Title of publication | 3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide |
Authors of publication | Liu, Yong; Zheng, Shuai; Zhou, Jing; Gao, Dongmei; Du, Zhen-Ting |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | o1198 |
a | 10.844 ± 0.005 Å |
b | 18.594 ± 0.009 Å |
c | 9.602 ± 0.005 Å |
α | 90° |
β | 102.76 ± 0.006° |
γ | 90° |
Cell volume | 1888.3 ± 1.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1744 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.1333 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230122.cif 2230122.hkl |
181223 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/01. |
2230122.cif 2230122.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230122.cif 2230122.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230122.cif 2230122.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230122.cif 2230122.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230122.cif 2230122.hkl |
22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230122.cif 2230122.hkl |
20195 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230122 via cif-deposit CGI script. |
2230122.cif |
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Users of the data should acknowledge the original authors of the
structural data.