Information card for entry 7156424

Structure parameters

• Formula: C17 H15 Cl O3
• Calculated formula: C17 H15 Cl O3
• Title of publication: Rhodium(iii)-catalyzed three-component cascade synthesis of 6H-benzo[c]chromenes through C-H activation.
• Authors of publication: Yang, Wei; Wang, Jingyi; Wang, He; Li, Lei; Guan, Yuekai; Xu, Xianxiu; Yu, Dayu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 6865 - 6869
• a: 7.2405 ± 0.0007 Å
• b: 16.1028 ± 0.0016 Å
• c: 12.0426 ± 0.0012 Å
• α: 90°
• β: 91.275 ± 0.002°
• γ: 90°
• Cell volume: 1403.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1571
• 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