Information card for entry 8107545

Structure parameters

• Formula: C23 H34 O5
• Calculated formula: C23 H34 O5
• SMILES: O1C[C@@]2([C@H](OC1(C)C)CC[C@@]1([C@@H]2CCC(=C)[C@H]1C/C=C1\[C@H](O)COC1=O)C)C
• Title of publication: Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5
• Authors of publication: Li, Shi-Qing; Zhou, Jian; Dong, Zhang-Chao; Pan, Bo Wen; Shi, Yang; Zhou, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 735 - 737
• a: 11.1838 ± 0.0003 Å
• b: 11.7824 ± 0.0003 Å
• c: 16.316 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2149.99 ± 0.1 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 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 all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No