Information card for entry 7206856

Structure parameters

• Chemical name: 1-hydroxynaphthalene-8-carbaldehyde cpd 15
• Formula: C11 H8 O2
• Calculated formula: C11 H8 O2
• SMILES: Oc1cccc2cccc(c12)C=O
• 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: 7.1576 ± 0.0005 Å
• b: 29.301 ± 0.003 Å
• c: 7.6537 ± 0.0007 Å
• α: 90°
• β: 91.699 ± 0.004°
• γ: 90°
• Cell volume: 1604.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No