Information card for entry 7225251

Structure parameters

• Chemical name: 9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene
• Formula: C26 H26 O4
• Calculated formula: C26 H26 O4
• SMILES: c12ccccc1C1(c3c(cc(c(c3)OC)OC)C2(c2cc(c(cc12)OC)OC)C)C
• Title of publication: Highly porous hydrogen-bond networks from a triptycene-based catechol
• Authors of publication: Greatorex, Sam; Halcrow, Malcolm A.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4695
• a: 8.7138 ± 0.0004 Å
• b: 14.7312 ± 0.0007 Å
• c: 15.9961 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.34 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No