Information card for entry 2101018

Structure parameters

• Formula: C38 H40 O8
• Calculated formula: C38 O8
• SMILES: [C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OC(=O)C)OC(=O)C)OCc1ccccc1)OCc1ccccc1.[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OC(=O)C)OC(=O)C)OCc1ccccc1)OCc1ccccc1
• Title of publication: `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol
• Authors of publication: Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 708 - 718
• a: 16.261 ± 0.008 Å
• b: 15.23 ± 0.008 Å
• c: 14.385 ± 0.007 Å
• α: 90°
• β: 96.73 ± 0.04°
• γ: 90°
• Cell volume: 3538 ± 3 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.542 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No