Information card for entry 4020046

Structure parameters

• Formula: C35 H18 Cl2 O6
• Calculated formula: C35 H18 Cl2 O6
• Authors of publication: Xiao-Zhang Zhu; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 917 - 924
• a: 11.833 ± 0.002 Å
• b: 15.927 ± 0.003 Å
• c: 15.686 ± 0.003 Å
• α: 90°
• β: 110.56 ± 0.03°
• γ: 90°
• Cell volume: 2768.2 ± 1 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: 0.1571
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No