Information card for entry 7155112

Structure parameters

• Formula: C29 H26 N2 O
• Calculated formula: C29 H26 N2 O
• SMILES: n12c([C@@H]([C@H]([C@H]2c2c3c(n(c2)C)cccc3)C(=O)C)c2ccccc2)c(c2c1cccc2)C.n12c([C@H]([C@@H]([C@@H]2c2c3c(n(c2)C)cccc3)C(=O)C)c2ccccc2)c(c2c1cccc2)C
• Title of publication: Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.
• Authors of publication: Dethe, Dattatraya H.; Boda, Raghavender
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5843 - 5860
• a: 9.5 ± 0.005 Å
• b: 11.269 ± 0.005 Å
• c: 12.113 ± 0.006 Å
• α: 111.974 ± 0.007°
• β: 97.28 ± 0.008°
• γ: 101.443 ± 0.007°
• Cell volume: 1149.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No