Information card for entry 2007698

Structure parameters

• Chemical name: 4-(1-naphthoyl)-5,8-dihydro-1-naphthol
• Formula: C21 H16 O2
• Calculated formula: C21 H16 O2
• SMILES: Oc1ccc(c2CC=CCc12)C(=O)c1cccc2ccccc12
• Title of publication: 2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1496 - 1499
• a: 12.2964 ± 0.0002 Å
• b: 16.2109 ± 0.0003 Å
• c: 7.8517 ± 0.0002 Å
• α: 90°
• β: 103.197 ± 0.002°
• γ: 90°
• Cell volume: 1523.79 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.149
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.101
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No