Information card for entry 2000002

Structure parameters

• Common name: (-)-(6'R)-3',6'-Epoxyaurapten
• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: O=c1ccc2c(o1)cc(cc2)OC[C@H]1[C@]2(C)CC[C@H](C1(C)C)O2
• Title of publication: Structure of (-)-(6'R)-3',6'-epoxyaurapten
• Authors of publication: Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1988
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 1262 - 1264
• a: 7.295 ± 0.003 Å
• b: 14.926 ± 0.008 Å
• c: 15.16 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.7 ų
• 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: 0.035
• Weighted residual factors for significantly intense reflections: 0.035
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No