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Information card for entry 2234719
Preview
Coordinates | 2234719.cif |
---|---|
Structure factors | 2234719.hkl |
Original IUCr paper | HTML |
Chemical name | 4'-(4-Bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine- 3',2''-indane]-2,1''(1<i>H</i>)-dione |
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Formula | C30 H22 Br N O2 |
Calculated formula | C30 H22 Br N O2 |
SMILES | Brc1ccc([C@@H]2[C@@]3([C@@]4(N(C2)C)C(=O)c2cccc5cccc4c25)Cc2ccccc2C3=O)cc1.Brc1ccc([C@H]2[C@]3([C@]4(N(C2)C)C(=O)c2cccc5cccc4c25)Cc2ccccc2C3=O)cc1 |
Title of publication | 4'-(4-Bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1<i>H</i>)-dione |
Authors of publication | Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | o1340 - o1341 |
a | 8.6638 ± 0.0001 Å |
b | 19.9429 ± 0.0002 Å |
c | 13.5225 ± 0.0001 Å |
α | 90° |
β | 94.937 ± 0.001° |
γ | 90° |
Cell volume | 2327.77 ± 0.04 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0624 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234719.html
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Users of the data should acknowledge the original authors of the
structural data.