Information card for entry 2233688

Structure parameters

• Chemical name: 1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2<i>H</i>- furo[2,3-<i>d</i>][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1<i>H</i>- 1,3-benzodiazol-2-one
• Formula: C27 H38 N2 O11
• Calculated formula: C27 H38 N2 O11
• SMILES: O(C)[C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@H](O)Cn1c2ccccc2n(c1=O)C[C@@H](O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OC)(C)C)(C)C
• Title of publication: 1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one
• Authors of publication: Lakhrissi, Brahim; Massoui, Mohamed; Ramli, Youssef; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o351
• a: 30.5551 ± 0.0008 Å
• b: 5.3132 ± 0.0001 Å
• c: 17.8757 ± 0.0005 Å
• α: 90°
• β: 98.267 ± 0.002°
• γ: 90°
• Cell volume: 2871.88 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes