Information card for entry 2007796

Structure parameters

• Formula: C19 H28 O5
• Calculated formula: C19 H28 O5
• SMILES: O1[C@]23CC[C@H]4[C@@](CCC[C@@]4([C@]12CC1(OCCO1)CC3)C)(C)C(=O)O
• Title of publication: 12,12-Ethylenedioxy-8α,9α-epoxypodocarpan-19-oic Acid
• Authors of publication: Cambie, Richard C.; Mitchell, Lorna H.; Rickard, Clifton E. F.; Rutledge, P. Stewart
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1672 - 1673
• a: 10.8912 ± 0.0006 Å
• b: 7.4907 ± 0.0004 Å
• c: 11.2879 ± 0.0006 Å
• α: 90°
• β: 111.214 ± 0.001°
• γ: 90°
• Cell volume: 858.49 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No