Information card for entry 2007697

Structure parameters

• Chemical name: 2-crotonoyl-5,8-dihydro-1-naphthol
• Formula: C14 H14 O2
• Calculated formula: C14 H14 O2
• SMILES: Oc1c(ccc2CC=CCc12)C(=O)/C=C/C
• Title of publication: 2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)
• Authors of publication: Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1496 - 1499
• a: 9.735 ± 0.003 Å
• b: 12.7753 ± 0.0008 Å
• c: 9.735 ± 0.003 Å
• α: 90°
• β: 110.58 ± 0.002°
• γ: 90°
• Cell volume: 1133.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No