Information card for entry 7206857

Structure parameters

• Chemical name: 1,4-Di(methoxy)triptycene-9,10-dicarbaldehyde cpd 20
• Formula: C24 H18 O4
• Calculated formula: C24 H18 O4
• SMILES: O(c1c2c(c(OC)cc1)C1(c3ccccc3C2(c2ccccc12)C=O)C=O)C
• Title of publication: The use of the triptycene framework for observing O⋯CO molecular interactions
• Authors of publication: Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6978
• a: 14.0278 ± 0.0003 Å
• b: 7.9798 ± 0.0002 Å
• c: 15.6964 ± 0.0004 Å
• α: 90°
• β: 96.197 ± 0.002°
• γ: 90°
• Cell volume: 1746.77 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No