Information card for entry 8101193

Structure parameters

• Common name: Cedrelone
• Formula: C26 H29 O5
• Calculated formula: C26 H29 O5
• SMILES: O=C1C=C[C@@]2(C(=C(O)C(=O)[C@]3([C@H]2CC[C@]2([C@@]43O[C@H]4C[C@@H]2c2ccoc2)C)C)C1(C)C)C
• Title of publication: Crystal structure of 6-(3-furyl)-17-hydroxy-1,7,11,15,15-pentamethyl- 3-oxapentacyclo[8.8.0.0^2,4^.0^2,7^.0^11,16^]octadeca-12,16(17)diene- 14,18-dione, cedrelone, C~26~H~30~O~5~
• Authors of publication: Zeumer, Britta; Zukerman-Schpector, J.; Caracelli, I.; Castro-Gamboa, Ian; Da Silva, M. F.; Fernandes, J. B.; Vieira, P. C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 143 - 144
• a: 11.7604 ± 0.0008 Å
• b: 12.9764 ± 0.0006 Å
• c: 14.4341 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.8 ± 0.2 ų
• Ambient diffraction temperature: 293 ± 1 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: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1124
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No