Information card for entry 7247357

Structure parameters

• Formula: C29 H26 N2 O2
• Calculated formula: C29 H26 N2 O2
• SMILES: o1c2N(C(Cc3c(c2c2C(=O)Nc4c(c12)cccc4)cccc3)c1ccccc1)C(C)(C)C
• Title of publication: Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light
• Authors of publication: Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 8074 - 8081
• a: 10.605 ± 0.0003 Å
• b: 11.8204 ± 0.0003 Å
• c: 17.9554 ± 0.0005 Å
• α: 90°
• β: 92.512 ± 0.003°
• γ: 90°
• Cell volume: 2248.64 ± 0.11 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No