Information card for entry 8106175

Structure parameters

• Chemical name: (3<i>S</i>,12<i>R</i>,20<i>R</i>,24<i>S</i>)-3,12-diacetyl-20,24-epoxy- dammarane-3,12,25-triol
• Formula: C34 H56 O6
• Calculated formula: C34 H56 O6
• SMILES: O([C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C[C@@H](OC(=O)C)[C@H]2[C@]1(CC[C@@H]2[C@@]1(O[C@@H](CC1)C(O)(C)C)C)C)C)C)C(=O)C
• Title of publication: The crystal structure of (3S,12R,20R,24S)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25-triol acetone solvate, C34H56O6
• Authors of publication: Hongzhang, Liu; Yingting, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 437 - 439
• a: 8.0343 ± 0.0008 Å
• b: 17.7992 ± 0.0016 Å
• c: 24.153 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3454 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.1396
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No