Information card for entry 2001877

Structure parameters

• Formula: C18 H20 O3
• Calculated formula: C18 H20 O3
• SMILES: O[C@@]12CCCC[C@H]1[C@@H](Cc1oc3ccccc3c(=O)c21)C.O[C@]12CCCC[C@@H]1[C@H](Cc1oc3ccccc3c(=O)c21)C
• Title of publication: Structure of 12b-hydroxy-5-methyl-1,2,3,4,4a,5,6,12b-octahydro-12<i>H</i>-benzo[<i>a</i>]xanthen-12-one
• Authors of publication: Letcher, R. M.; Cheung, K.-K.; Yue, T.-Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 528 - 530
• a: 7.505 ± 0.002 Å
• b: 8.805 ± 0.002 Å
• c: 11.443 ± 0.004 Å
• α: 101.53 ± 0.03°
• β: 99.57 ± 0.03°
• γ: 95.43 ± 0.02°
• Cell volume: 724.2 ± 0.4 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No