Information card for entry 4511137

Structure parameters

• Formula: C32 H38 O7
• Calculated formula: C32 H38 O7
• Title of publication: Pseudopolymorph and Charge-Transfer Co-Crystal of Disubstituted Adamantane containing Dimethoxyphenol Moieties
• Authors of publication: Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3692
• a: 15.015 ± 0.002 Å
• b: 21.454 ± 0.003 Å
• c: 9.6703 ± 0.0014 Å
• α: 90°
• β: 110.752 ± 0.002°
• γ: 90°
• Cell volume: 2913 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No