Information card for entry 8101160

Structure parameters

• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: [C@H]12CCC=C[C@H]1OC(=O)[C@@H]2C(=O)OC
• Title of publication: Crystal structure of (1β,6β,7α)-7-carbomethoxy-9- oxabicyclo[4.3.0]non-2-en-8-one, C~10~H~12~O~4~
• Authors of publication: Pèpe, Gérard; Lamarque, Laurent; Méou, Alain; Brun, Pierre
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 61 - 62
• a: 8.57 ± 0.001 Å
• b: 9.459 ± 0.001 Å
• c: 12.232 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 991.6 ± 0.2 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: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0652
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No