Information card for entry 7206806

Structure parameters

• Chemical name: 1, 4-bis (diphenylhydroxymethyl) benzene dimethylformamide clathrate
• Formula: C38 H40 N2 O4
• Calculated formula: C38 H40 N2 O4
• Title of publication: Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity
• Authors of publication: Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 7014
• a: 7.6923 ± 0.0011 Å
• b: 9.1752 ± 0.0013 Å
• c: 12.7495 ± 0.0018 Å
• α: 77.96 ± 0.003°
• β: 76.026 ± 0.003°
• γ: 66.76 ± 0.002°
• Cell volume: 795.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No