Information card for entry 8100959

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O1C(=O)[C@@H](C[C@@]21C(=O)CCC=CCCCCC2)C
• Title of publication: Crystal structure of (3R,5R)-(+)-3-methyl-1-oxa-spiro[4.10]pentadec- 9-en-2,6-dione, (OCOCHCH~3~CH~2~)(C)(COC~9~H~16~)
• Authors of publication: Peters, Eva-Maria; Peters, Karl; Seyberlich, Birgit; Tochtermann, Werner
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 225 - 226
• a: 8.115 ± 0.001 Å
• b: 8.706 ± 0.001 Å
• c: 19.989 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1412.2 ± 0.3 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No