Information card for entry 7130057

Structure parameters

• Formula: C29 H21 N O3
• Calculated formula: C29 H21 N O3
• Title of publication: Diastereodivergent synthesis of chromeno[2,3-b]chromenes by tuning the full reactivity centers of isocyanoacetate
• Authors of publication: Wang, Lei; Huang, Zitong; Guo, Xiaoyu; Liu, Jian; Dong, Jinhuan; Xu, Xianxiu
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.1119 ± 0.0005 Å
• b: 14.6483 ± 0.0004 Å
• c: 12.6716 ± 0.0005 Å
• α: 90°
• β: 117.937 ± 0.005°
• γ: 90°
• Cell volume: 2150.17 ± 0.17 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: 0.0434
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No