Information card for entry 4020059

Structure parameters

• Formula: C10 H18 O3
• Calculated formula: C10 H18 O3
• Title of publication: Structure of GUIN23
• Authors of publication: Guindon, Yvan; Brigitte Guérin; Cardinal-David, Benoit
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 776 - 784
• a: 17.2915 ± 0.0015 Å
• b: 10.6152 ± 0.0008 Å
• c: 5.8951 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1082.06 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No