Information card for entry 2221595

Structure parameters

• Chemical name: 3'-Benzyloxy-3-hydroxy-3,3'-bi-1<i>H</i>-indole-2,2'(3<i>H</i>,3'<i>H</i>)-dione monohydrate
• Formula: C23 H20 N2 O5
• Calculated formula: C23 H20 N2 O5
• SMILES: O=C1Nc2ccccc2[C@@]1(O)[C@]1(OCc2ccccc2)C(=O)Nc2ccccc12.O.O=C1Nc2ccccc2[C@]1(O)[C@@]1(OCc2ccccc2)C(=O)Nc2ccccc12.O
• Title of publication: 3'-Benzyloxy-3-hydroxy-3,3'-bi-1<i>H</i>-indole-2,2'(3<i>H</i>,3'<i>H</i>)-dione monohydrate
• Authors of publication: Ramesh, P.; Sundaresan, S. S.; Lakshmi, N. Vidhya; Perumal, Paramasivan T.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o994
• a: 9.8243 ± 0.0003 Å
• b: 9.9304 ± 0.0006 Å
• c: 11.446 ± 0.0005 Å
• α: 107.517 ± 0.002°
• β: 114.227 ± 0.003°
• γ: 93.918 ± 0.002°
• Cell volume: 947.17 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes