Information card for entry 7203931

Structure parameters

• Formula: C12 H18 Cl N O6
• Calculated formula: C12 H18 Cl N O6
• SMILES: Cl[C@]1(N=O)[C@@H]2[C@H](O[C@@H]1[C@@H]1OC(OC1)(C)C)OC(O2)(C)C
• Title of publication: α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine
• Authors of publication: Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 329
• a: 6.7596 ± 0.0007 Å
• b: 8.7092 ± 0.001 Å
• c: 26.1866 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1161
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No