Information card for entry 1519305

Structure parameters

• Formula: C27 H36 N2 O6 Si
• Calculated formula: C27 H36 N2 O6 Si
• SMILES: c1(ccc(cc1)[C@H]1CC2(C[C@@H](c3ccc(cc3)N(=O)=O)OC2O1)[Si](C(C)C)(C(C)C)C(C)C)N(=O)=O
• Title of publication: ((2R,5S)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane
• Authors of publication: Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 124
• a: 11.4829 ± 0.0003 Å
• b: 14.5419 ± 0.0003 Å
• c: 15.7595 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.57 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No