Information card for entry 4030112

Structure parameters

• Formula: C21 H18 Br Cl O5
• Calculated formula: C21 H18 Br Cl O5
• Title of publication: Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.
• Authors of publication: Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 22
• Pages of publication: 10772 - 10785
• a: 8.2432 ± 0.0006 Å
• b: 8.647 ± 0.0006 Å
• c: 28.4472 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2027.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No