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Information card for entry 2213085
Preview
Coordinates | 2213085.cif |
---|---|
Structure factors | 2213085.hkl |
Original IUCr paper | HTML |
Chemical name | 4'-Ferrocenyl-3'-(4-methoxybenzoyl)-1'-methylspiro[1H-indole-3(2H),2'- pyrrolidin]-2-one |
---|---|
Formula | C30 H28 Fe N2 O3 |
Calculated formula | C30 H28 Fe N2 O3 |
SMILES | [cH]12[cH]3[cH]4[cH]5[c]1([C@H]1[C@@H]([C@]6(c7ccccc7NC6=O)N(C1)C)C(=O)C1=CCC(=CC1)OC)[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[cH]12[cH]3[cH]4[cH]5[c]1([C@@H]1[C@H]([C@@]6(c7ccccc7NC6=O)N(C1)C)C(=O)C1=CCC(=CC1)OC)[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82 |
Title of publication | 4'-Ferrocenyl-3'-(4-methoxybenzoyl)-1'-methylspiro[1<i>H</i>-indole-3(2<i>H</i>),2'-pyrrolidin]-2-one |
Authors of publication | B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | m1287 - m1289 |
a | 9.4895 ± 0.0005 Å |
b | 11.4943 ± 0.0006 Å |
c | 12.3633 ± 0.0007 Å |
α | 86.978 ± 0.001° |
β | 71.302 ± 0.001° |
γ | 77.822 ± 0.001° |
Cell volume | 1248.45 ± 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 | 0.043 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1088 |
Weighted residual factors for all reflections included in the refinement | 0.1126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/2213085.html
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