Information card for entry 7155116

Structure parameters

• Formula: C23 H26 N2 O2
• Calculated formula: C23 H26 N2 O2
• SMILES: O(CC)C(=O)[C@H]1[C@H](c2ccccc2)c2n(c3c(cccc3)c2C)[C@@H]1N(C)C.O(CC)C(=O)[C@@H]1[C@@H](c2ccccc2)c2n(c3c(cccc3)c2C)[C@H]1N(C)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: 7.845 ± 0.005 Å
• b: 9.525 ± 0.003 Å
• c: 14.475 ± 0.005 Å
• α: 102.857 ± 0.005°
• β: 103.298 ± 0.002°
• γ: 104.067 ± 0.005°
• Cell volume: 975.6 ± 0.8 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: 0.0845
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No