Information card for entry 2201790

Structure parameters

• Chemical name: [2.2](2,5)Furanoparacyclophane-12,13-dicarbaldehyde
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: C1Cc2ccc(cc2)CCc2c(c(c1o2)C=O)C=O
• Title of publication: [2.2](2,5)Furanoparacyclophane-12,13-dicarbaldehyde
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Witulkski, Bernhard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o188 - o189
• a: 13.813 ± 0.003 Å
• b: 8.909 ± 0.003 Å
• c: 10.658 ± 0.003 Å
• α: 90°
• β: 107.44 ± 0.02°
• γ: 90°
• Cell volume: 1251.3 ± 0.6 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes