Information card for entry 2012423

Structure parameters

• Chemical name: 1,1'-diacetyl-3-hydroxy-1,1',3,3'-tetrahydro-3,3'-bisindole-2,2'-dione
• Formula: C20 H16 N2 O5
• Calculated formula: C20 H16 N2 O5
• SMILES: O=C(N1C(=O)[C@@H]([C@]2(O)c3ccccc3N(C2=O)C(=O)C)c2c1cccc2)C.O=C(N1C(=O)[C@H]([C@@]2(O)c3ccccc3N(C2=O)C(=O)C)c2c1cccc2)C
• Title of publication: 1,1'-Diacetyl-3-hydroxy-2,2',3,3'-tetrahydro-3,3'-bi(1<i>H</i>-indole)-2,2'-dione
• Authors of publication: Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o24 - o25
• a: 10.2447 ± 0.0001 Å
• b: 10.3416 ± 0.0001 Å
• c: 16.9848 ± 0.0002 Å
• α: 90°
• β: 103.482 ± 0.001°
• γ: 90°
• Cell volume: 1749.89 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes