Information card for entry 2003304

Structure parameters

• Common name: 3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose
• Chemical name: 3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside
• Formula: C33 H34 O10
• Calculated formula: C33 H34 O10
• SMILES: O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1)[C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H](O)C1
• Title of publication: 3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose
• Authors of publication: Linden, A.; Lee, C. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 747 - 751
• a: 9.604 ± 0.006 Å
• b: 9.994 ± 0.004 Å
• c: 16.072 ± 0.005 Å
• α: 90°
• β: 103.68 ± 0.03°
• γ: 90°
• Cell volume: 1498.9 ± 1.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0317
• Goodness-of-fit parameter for significantly intense reflections: 1.577
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No