Information card for entry 7158706

Structure parameters

• Formula: C21 H23 N3 O7
• Calculated formula: C21 H23 N3 O7
• Title of publication: One-pot Catalyst-free Synthesis of Benzopyrroxazine Derivatives by a Mutually Activated Sequential Annulation Process
• Authors of publication: Li, Fu-Qiang; Xie, Pu-Yuan; Chen, Huiyu; Bian, Ming; Gao, Yu-Ning; Liu, Zhen-Jiang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 11.5593 ± 0.0007 Å
• b: 15.3247 ± 0.001 Å
• c: 12.0108 ± 0.0007 Å
• α: 90°
• β: 90.874 ± 0.002°
• γ: 90°
• Cell volume: 2127.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1187
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.3128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No