Information card for entry 4500320

Structure parameters

• Formula: C22.5 H22.5 Cl3.5 O2
• Calculated formula: C22.5 H22.5 Cl3.5 O2
• Title of publication: Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels
• Authors of publication: Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 542
• a: 26.384 ± 0.002 Å
• b: 6.4107 ± 0.0005 Å
• c: 27.2 ± 0.003 Å
• α: 90°
• β: 117.2 ± 0.001°
• γ: 90°
• Cell volume: 4091.9 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No