Information card for entry 2007066

Structure parameters

• Chemical name: 2-Acetyl-5,8-dihydronaphthalene-1-ol
• Formula: C12 H12 O2
• Calculated formula: C12 H12 O2
• SMILES: O=C(c1ccc2c(c1O)CC=CC2)C
• Title of publication: 2-Acetyl-5,8-dihydronaphthalen-1-ol
• Authors of publication: Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 370 - 371
• a: 8.9674 ± 0.0008 Å
• b: 9.0604 ± 0.0009 Å
• c: 11.8823 ± 0.0011 Å
• α: 90°
• β: 96.087 ± 0.008°
• γ: 90°
• Cell volume: 959.97 ± 0.16 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: 0.077
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 0.881
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No