Information card for entry 7244491

Structure parameters

• Formula: C68.83 H89.66 O10
• Calculated formula: C68.83 H89.66 O10
• Title of publication: Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
• Authors of publication: Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 6459 - 6462
• a: 24.169 ± 0.007 Å
• b: 24.169 ± 0.007 Å
• c: 18.917 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9570 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No