Information card for entry 4023317

Structure parameters

• Formula: C14 H21 N O5
• Calculated formula: C14 H21 N O5
• SMILES: N12O[C@H]3[C@H](C(=O)[C@H]4O[C@@H]3CO4)[C@@H]1[C@@H](OC(C)(C)C)CC2
• Title of publication: Quasienantiomeric Levoglucosenone and Isolevoglucosenone Allow the Parallel Kinetic Resolution of a Racemic Nitrone
• Authors of publication: Francesca Cardona; Daniela Lalli; Cristina Faggi; Andrea Goti; Alberto Brandi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1999 - 2002
• a: 7.336 ± 0.001 Å
• b: 8.994 ± 0.001 Å
• c: 22.175 ± 0.001 Å
• α: 90 ± 0.004°
• β: 90 ± 0.004°
• γ: 90 ± 0.006°
• Cell volume: 1463.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No