Information card for entry 4507285

Structure parameters

• Formula: C34 H36 N2 O2
• Calculated formula: C34 H36 N2 O2
• 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: 6.2857 ± 0.0019 Å
• b: 12.624 ± 0.004 Å
• c: 32.881 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2609.1 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No