Information card for entry 7159614

Structure parameters

• Formula: C26 H30 N2 O2
• Calculated formula: C26 H30 N2 O2
• Title of publication: Molecular-iodine catalyzed selective construction of cyclopenta[<i>b</i>]indoles from indoles and acetone: a green gateway to indole-fused cycles.
• Authors of publication: Bhattacharjee, Prantika; Sarma, Bipul; Bora, Utpal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 46
• Pages of publication: 9275 - 9285
• a: 8.0818 ± 0.0007 Å
• b: 16.4868 ± 0.0015 Å
• c: 32.475 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4327.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No