Information card for entry 7238247

Structure parameters

• Formula: C58 H46 N3 O5
• Calculated formula: C58 H46 N3 O5
• Title of publication: Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules
• Authors of publication: Zhang, Chun; Chen, Chuan-Feng
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3255
• a: 22.069 ± 0.007 Å
• b: 8.189 ± 0.003 Å
• c: 28.795 ± 0.009 Å
• α: 90°
• β: 109.128 ± 0.005°
• γ: 90°
• Cell volume: 4917 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No