Information card for entry 8104607

Structure parameters

• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: C1CC[C@@]2([C@]3([C@H](C[C@H]([C@@]4([C@H]13)C[C@@H](c1ccoc1)OC4=O)C)OC2=O)O)O
• Title of publication: The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7
• Authors of publication: Xu, Xin-Ke; Li, Can-Jie; Tan, Jin-Lin; Zhao, Hai-Yue; Lin, Qiang; Li, Yao-Lan; Zhang, Yu-Bo; Wang, Guo-Cai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1359 - 1361
• a: 6.4154 ± 0.0001 Å
• b: 7.8782 ± 0.0002 Å
• c: 17.1555 ± 0.0004 Å
• α: 90°
• β: 91.021 ± 0.002°
• γ: 90°
• Cell volume: 866.93 ± 0.03 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0328
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No