Information card for entry 7238860

Structure parameters

• Common name: 5H2
• Formula: C64 H64 O8
• Calculated formula: C64 H64 O8
• Title of publication: Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands
• Authors of publication: Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9811
• a: 11.335 ± 0.005 Å
• b: 14.854 ± 0.005 Å
• c: 15.823 ± 0.005 Å
• α: 90°
• β: 106.14 ± 0.005°
• γ: 90°
• Cell volume: 2559.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1442
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No