Information card for entry 7247358

Structure parameters

• Formula: C11.76 H8.47 N0.94 O0.94
• Calculated formula: C11.7647 H8.47059 N0.941176 O0.941176
• 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: 9.1217 ± 0.0002 Å
• b: 17.3684 ± 0.0004 Å
• c: 23.9176 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3789.25 ± 0.15 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No