Information card for entry 4037230

Structure parameters

• Formula: C24 H25.5 Cl1.5 O
• Calculated formula: C24 H26.5 Cl1.5 O
• Title of publication: Cyclization of Tetraaryl-Substituted Benzoquinones and Hydroquinones through the Scholl Reaction.
• Authors of publication: Ye, Qun; Zhang, Zhen; Png, Zhuang Mao; Neo, Wei Teng; Lin, Tingting; Zeng, Huining; Xu, Hui; Xu, Jianwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9219 - 9226
• a: 16.4628 ± 0.0012 Å
• b: 6.9001 ± 0.0005 Å
• c: 18.9585 ± 0.0019 Å
• α: 90°
• β: 111.283 ± 0.004°
• γ: 90°
• Cell volume: 2006.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1929
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2515
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No