Information card for entry 8101094

Structure parameters

• Formula: C21 H24 O4
• Calculated formula: C21 H24 O4
• SMILES: [C@H]1([C@H]([C@H](O[C@@H]2C[C@H]12)OC)OCc1ccccc1)OCc1ccccc1
• Title of publication: Crystal structure of methyl 2,3-di-O-benzyl-4,6-cyclo-4,6-dideoxy- β-D-galactopyranoside, C~21~H~24~O~4~
• Authors of publication: Henkel, Sonja; Shaw, Duncan; Lieberknecht, Albrecht; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 609 - 610
• a: 5.679 ± 0.002 Å
• b: 10.333 ± 0.006 Å
• c: 31.485 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0901
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No