Information card for entry 2242217

Structure parameters

• Common name: erioflorin
• Chemical name: (1a<i>R</i>,3<i>S</i>,4<i>Z</i>,5a<i>R</i>,8a<i>R</i>,9<i>R</i>,10a<i>R</i>)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-<i>b</i>]furan-9-yl methacrylate
• Formula: C19 H24 O6
• Calculated formula: C19 H24 O6
• SMILES: [C@@H]12C[C@@H](/C(=C\[C@@H]3[C@@H]([C@@H](C[C@@]1(C)O2)OC(=O)C(C)=C)C(=C)C(=O)O3)C)O
• Title of publication: Crystal structure of erioflorin isolated from <i>Podanthus mitiqui</i> (L.)
• Authors of publication: Paz, Cristian; Ortiz, Leandro; Schilde, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 334 - 337
• a: 8.4709 ± 0.0003 Å
• b: 9.8287 ± 0.0003 Å
• c: 22.4299 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.47 ± 0.1 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 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: 0.0497
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes