Information card for entry 2205875

Structure parameters

• Chemical name: Methyl 2-(1H-indol-3-ylmethyl)-1,2,3,3a,4,11c- hexahydronaphtho[2',1':2,3]pyrano[4,5-b]pyrrole-2-carboxylate
• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• SMILES: [nH]1c2ccccc2c(c1)C[C@@]1(N[C@@H]2[C@H](C1)COc1c2c2ccccc2cc1)C(=O)OC.[nH]1c2ccccc2c(c1)C[C@]1(N[C@H]2[C@@H](C1)COc1c2c2ccccc2cc1)C(=O)OC
• Title of publication: Methyl 2-(1<i>H</i>-indol-3-ylmethyl)-1,2,3,3a,4,11c-hexahydronaphtho[2',1':2,3]pyrano[4,5-<i>b</i>]pyrrole-2-carboxylate
• Authors of publication: S. Karthick; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Arumugam; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1780 - o1782
• a: 8.7481 ± 0.0008 Å
• b: 19.0068 ± 0.0018 Å
• c: 12.494 ± 0.0012 Å
• α: 90°
• β: 95.891 ± 0.002°
• γ: 90°
• Cell volume: 2066.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes