Information card for entry 2203155

Structure parameters

• Chemical name: 3,7,17-O-triacetyl-5-O-butanoyl-13,15-dihydroxymyrisinol
• Formula: C30 H42 O11
• Calculated formula: C30 H42 O11
• SMILES: CCCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)C)[C@H](C[C@]2(O)C(=O)[C@@]([C@H]2[C@@]1(COC(=O)C)[C@@H](C=C[C@@H]2C(=C)C)OC(=O)C)(C)O)C
• Title of publication: 3,7,17-Tri-<i>O</i>-acetyl-5-<i>O</i>-butanoyl-13,15-dihydroxymyrisinol
• Authors of publication: Parvez, Masood; Ahmad, Viqar Uddin; Hussain, Javid; Hussain, Hidayat; Farooq, Umar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o148 - o150
• a: 10.389 ± 0.003 Å
• b: 14.745 ± 0.004 Å
• c: 19.531 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2991.9 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes