Information card for entry 7062518

Structure parameters

• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: O1c2ccccc2NC2(Oc3c(c4c2cccc4)c2c(cc3)cccc2)C1
• Title of publication: Efficient synthesis of spirooxazine-pyrans via rhodium-catalyzed [3+3] cascade spiroannulation of benzoxazines with 1-diazonaphthalen-2(1H)-ones
• Authors of publication: Huang, Junwei; Yue, Xuelin; Gao, Yijie; Feng, Yadong; Cui, Xiuling
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 14430 - 14435
• a: 9.2178 ± 0.0002 Å
• b: 10.5693 ± 0.0004 Å
• c: 18.1416 ± 0.0005 Å
• α: 90°
• β: 94.955 ± 0.002°
• γ: 90°
• Cell volume: 1760.85 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No