Information card for entry 2007923

Structure parameters

• Formula: C16 H17 Cr N O3
• Calculated formula: C16 H17 Cr N O3
• SMILES: [Cr]12345([cH]6[cH]1[cH]2[cH]3[c]15N(C)[C@H]2CCCC[C@H]2[c]461)(C#[O])(C#[O])C#[O].[Cr]12345([cH]6[cH]1[cH]2[cH]3[c]15N(C)[C@@H]2CCCC[C@@H]2[c]461)(C#[O])(C#[O])C#[O]
• Title of publication: <i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)
• Authors of publication: Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1825 - 1827
• a: 7.3756 ± 0.0001 Å
• b: 21.9934 ± 0.0002 Å
• c: 9.6991 ± 0.0001 Å
• α: 90°
• β: 108.843 ± 0.001°
• γ: 90°
• Cell volume: 1489.02 ± 0.03 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No