Information card for entry 2211026

Structure parameters

• Formula: C24 H19 Cl4 N O7
• Calculated formula: C24 H19 Cl4 N O7
• SMILES: Clc1c(Cl)c(Cl)c(Cl)c2C(=O)N(C(=O)c12)[C@H]1[C@H](OCC=C)O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H]1O
• Title of publication: Allyl 4,6-<i>O</i>-benzylidene-2-deoxy-2-tetrachlorophthalimido-β-<small>D</small>-glucopyranoside
• Authors of publication: Yu, Chu-Yi; Qiao, Yan; Gao, Hong-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5163 - o5164
• a: 8.0242 ± 0.0015 Å
• b: 17.487 ± 0.003 Å
• c: 17.969 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.4 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes