Information card for entry 1507339

Structure parameters

• Chemical name: Organic crystal MJ-450E K182 2,3-O-(1-Methylethylidene)-5,5-di-C- methyl-α-L-lyxofuranose [6-Deoxy-5-C-methyl-2,3-O-(1-methylethylidene)- α-L-lyxo-hexofuranose] (9a).
• Formula: C10 H20 O6
• Calculated formula: C10 H20 O6
• SMILES: O[C@@H]1O[C@H]([C@H]2OC(O[C@@H]12)(C)C)C(O)(C)C.O
• Title of publication: D-Gulonolactone as a synthon for L-noviose: first preparation of 4-O-demethyl-L-noviofuranose and related derivatives.
• Authors of publication: Jeselnik, Marjan; Leban, Ivan; Polanc, Slovenko; Kocevar, Marijan
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2651 - 2653
• a: 6.013 ± 0.001 Å
• b: 8.5395 ± 0.0012 Å
• c: 12.3197 ± 0.0015 Å
• α: 90°
• β: 101.529 ± 0.005°
• γ: 90°
• Cell volume: 619.83 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No