Information card for entry 8101333

Structure parameters

• Formula: C13 H20 O6
• Calculated formula: C13 H20 O6
• SMILES: O1C(C)(C)O[C@@H]2C[C@]3(OC(OC3=O)(C)C)C[C@H]([C@H]12)O
• Title of publication: Crystal structure of (3aR,4'R,7R,7aS)-tetrahydro-7-hydroxy-2,2,2', 2'-tetramethylspiro[1,3-benzodioxole-5(4H),4'-[1,3]dioxolan]-5'-one, C~13~H~20~O~6~
• Authors of publication: Kelling, Alexandra; Schilde, Uwe; Sefkow, Michael
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 513 - 514
• a: 6.1338 ± 0.0019 Å
• b: 13.6642 ± 0.0015 Å
• c: 16.565 ± 0.031 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1388.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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