Information card for entry 2001655

Structure parameters

• Formula: C30 H36 O7
• Calculated formula: C30 H36 O7
• SMILES: C[C@@H]1CC[C@H]([C@](C1)(O)[C@@H]1C[C@H](OC1=O)[C@@H](OC(=O)c1ccccc1)COC(=O)c1ccccc1)C(C)C
• Title of publication: Structure of a coupled carbohydrate and terpene
• Authors of publication: Abboud, K. A.; Jiang, S.; Enholm, E. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1234 - 1237
• a: 9.145 ± 0.001 Å
• b: 16.756 ± 0.002 Å
• c: 18.201 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2789 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0503
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No