Information card for entry 2011000

Structure parameters

• Formula: C21 H18 O2
• Calculated formula: C21 H18 O2
• SMILES: O=C(/C=C/c1c(ccc(c1)Cc1cccc2ccccc12)C)O
• Title of publication: (<i>E</i>)-2-Methyl-5-(1-naphthylmethyl)cinnamic acid
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 674 - 676
• a: 16.942 ± 0.001 Å
• b: 5.932 ± 0.002 Å
• c: 17.265 ± 0.001 Å
• α: 90°
• β: 108.122 ± 0.005°
• γ: 90°
• Cell volume: 1649.1 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No