Information card for entry 4507290

Structure parameters

• Formula: C34 H34 Br2 N2 O3
• Calculated formula: C34 H34 Br2 N2 O3
• Title of publication: Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring
• Authors of publication: Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 752
• a: 9.6666 ± 0.0014 Å
• b: 10.5148 ± 0.0015 Å
• c: 16.003 ± 0.002 Å
• α: 79.171 ± 0.002°
• β: 82.682 ± 0.002°
• γ: 73.44 ± 0.002°
• Cell volume: 1526.6 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0368
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No