Information card for entry 7238250

Structure parameters

• Formula: C40 H30 N4 O3
• Calculated formula: C40 H30 N4 O3
• 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: 12.7629 ± 0.0017 Å
• b: 15.811 ± 0.002 Å
• c: 16.351 ± 0.002 Å
• α: 90°
• β: 97.546 ± 0.002°
• γ: 90°
• Cell volume: 3271 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No