Information card for entry 7130602

Structure parameters

• Formula: C30 H27 Cl N2 O6
• Calculated formula: C30 H27 Cl N2 O6
• Title of publication: Cascade reaction of o-enoyl arylisocyanide and o-hydroxy aromatic aldimine: a diastereoselective access to polycyclic spirobenzoxazine chromeno[4,3-b]pyrrole derivative
• Authors of publication: Li, Jian; Xiao, Yao; Peng, Xin; Shen, Jie; Cui, Lei; Lu, Shanya; Jia, Xueshun; Li, Chunju
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.121 ± 0.0007 Å
• b: 16.5576 ± 0.001 Å
• c: 14.9717 ± 0.0009 Å
• α: 90°
• β: 102.333 ± 0.003°
• γ: 90°
• Cell volume: 2693.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No