Information card for entry 7159197

Structure parameters

• Formula: C45 H43 F N2 O
• Calculated formula: C45 H42 F N2 O
• Title of publication: Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.
• Authors of publication: Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2493 - 2498
• a: 10.797 ± 0.0005 Å
• b: 11.7144 ± 0.0005 Å
• c: 17.2757 ± 0.0007 Å
• α: 109.155 ± 0.004°
• β: 106.362 ± 0.004°
• γ: 90.359 ± 0.004°
• Cell volume: 1968.69 ± 0.16 ų
• Cell temperature: 298.01 ± 0.01 K
• Ambient diffraction temperature: 298.01 ± 0.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No