Information card for entry 7244498

Structure parameters

• Formula: C55 H68 Cl N O8
• Calculated formula: C55 H68 Cl N O8
• 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: 14.4119 ± 0.0019 Å
• b: 14.557 ± 0.002 Å
• c: 15.542 ± 0.002 Å
• α: 66.34 ± 0.002°
• β: 81.457 ± 0.002°
• γ: 62.084 ± 0.002°
• Cell volume: 2635.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No