Information card for entry 4024663

Structure parameters

• Formula: C48 H74 N2 O6 Si4
• Calculated formula: C48 H74 N2 O6 Si4
• SMILES: [Si]([C@@]12O[C@@]([Si](C(C)(C)C)(C)C)(c3c1ccc1c3ccc3c1[C@]1([Si](C(C)(C)C)(C)C)O[C@@]3([Si](C(C)(C)C)(C)C)[C@H]3[C@@H]1C(=O)N(C3=O)C)[C@@H]1[C@H]2C(=O)N(C1=O)C)(C(C)(C)C)(C)C
• Title of publication: X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative
• Authors of publication: Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5192 - 5198
• a: 11.799 ± 0.004 Å
• b: 12.598 ± 0.004 Å
• c: 33.55 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4987 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No