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Information card for entry 2210885
Preview
Coordinates | 2210885.cif |
---|---|
Structure factors | 2210885.hkl |
Original IUCr paper | HTML |
Chemical name | 4'-(4-Chlorophenyl)-1'-methyl- indan-2-spiro-2'-pyrrolidine-3'-spiro-2''(1''H)-carbazole-1,3,3''(4''H)-trione |
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Formula | C30 H23 Cl N2 O3 |
Calculated formula | C30 H23 Cl N2 O3 |
SMILES | C1[C@H]([C@]2(C3(C(=O)c4ccccc4C3=O)N1C)CCc1c3ccccc3[nH]c1C2=O)c1ccc(cc1)Cl.C1[C@@H]([C@@]2(C3(C(=O)c4ccccc4C3=O)N1C)CCc1c3ccccc3[nH]c1C2=O)c1ccc(cc1)Cl |
Title of publication | 4'-(4-Chlorophenyl)-1'-methylindan-2-spiro-2'-pyrrolidine-3'-spiro-2''(1''<i>H</i>)-carbazole-1,3,3''(4''<i>H</i>)-trione |
Authors of publication | B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; G. Periyasami |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 11 |
Pages of publication | o5075 - o5077 |
a | 10.2044 ± 0.0006 Å |
b | 11.5646 ± 0.0007 Å |
c | 11.8815 ± 0.0007 Å |
α | 64.856 ± 0.001° |
β | 82.599 ± 0.001° |
γ | 72.073 ± 0.001° |
Cell volume | 1207.64 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0507 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1236 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
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/2210885.html
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Users of the data should acknowledge the original authors of the
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