Information card for entry 8101326

Structure parameters

• Formula: C10 H20 O4
• Calculated formula: C10 H20 O4
• SMILES: O1[C@@H](O[C@H]([C@](C1)(C)O)OC)C(C)(C)C
• Title of publication: Crystal structure of (2S*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy- 5-methyl-1,3-dioxane, C~10~H~20~O~4~
• Authors of publication: Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 503 - 504
• a: 5.822 ± 0.001 Å
• b: 6.375 ± 0.002 Å
• c: 29.932 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1110.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No