Information card for entry 8101159

Structure parameters

• Formula: C14 H20 O5
• Calculated formula: C14 H20 O5
• SMILES: [C@@H]12C[C@@H]3[C@H](C[C@@]1(OC(=O)[C@]2(O)C(=O)OC)C)C3(C)C
• Title of publication: Crystal structure of (1S,3S,5R,7R,8R)-1,4,4-trimethyl-8-carbomethoxy- 8-hydroxy-10-oxatricyclo[5.3.0.0^3,5^]decan-9-one, C~14~H~20~O~5~
• Authors of publication: Lamarque, Laurent; Méou, Alain; Brun, Pierre; Pèpe, Gérard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 59 - 60
• a: 7.428 ± 0.002 Å
• b: 10.898 ± 0.002 Å
• c: 16.906 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.5 ± 0.4 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: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0986
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No