Information card for entry 7244488

Structure parameters

• Formula: C59 H76 O9
• Calculated formula: C59 H76 O9
• 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: 14.494 ± 0.0002 Å
• b: 14.71417 ± 0.00018 Å
• c: 15.1622 ± 0.0002 Å
• α: 66.8505 ± 0.0012°
• β: 81.2416 ± 0.0011°
• γ: 63.0184 ± 0.0013°
• Cell volume: 2648.26 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No