Information card for entry 4020047

Structure parameters

• Common name: "1-methyl-1-(2-oxo-propyl)-4a,5,8,8a-tetrahydro-1H-naphthalen-2-0ne".
• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• Authors of publication: Vishwakarma Singh; Sridhar R. Iyer; Shaikh M. Mobin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 973 - 981
• a: 6.608 ± 0.0011 Å
• b: 8.373 ± 0.0005 Å
• c: 12.307 ± 0.0008 Å
• α: 100.772 ± 0.005°
• β: 98.244 ± 0.009°
• γ: 111.589 ± 0.008°
• Cell volume: 605 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No