Information card for entry 7159734

Structure parameters

• Formula: C23 H17 N3 O
• Calculated formula: C23 H17 N3 O
• SMILES: O(c1c2c(n(c3c2cccc3)c2ncccn2)c(c2ccccc2)cc1)C
• Title of publication: Substituent-controlled regioselective arylation of carbazoles using dual catalysis.
• Authors of publication: Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 753 - 758
• a: 7.3575 ± 0.0005 Å
• b: 19.315 ± 0.0015 Å
• c: 12.3105 ± 0.0009 Å
• α: 90°
• β: 97.192 ± 0.002°
• γ: 90°
• Cell volume: 1735.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.049
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No