Information card for entry 4028341

Structure parameters

• Formula: C12 H24 O3
• Calculated formula: C12 H24 O3
• SMILES: OC[C@H](C)[C@H]1O[C@@H](CC[C@@H]1C)[C@@H](CO)C.OC[C@@H](C)[C@@H]1O[C@H](CC[C@H]1C)[C@H](CO)C
• Title of publication: A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans
• Authors of publication: François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6075 - 6103
• a: 9.3785 ± 0.0004 Å
• b: 14.7508 ± 0.0005 Å
• c: 18.4375 ± 0.0008 Å
• α: 90°
• β: 90.833 ± 0.003°
• γ: 90°
• Cell volume: 2550.38 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No