Information card for entry 4024664

Structure parameters

• Formula: C25 H39 N O3 Si2
• Calculated formula: C25 H39 N O3 Si2
• SMILES: [Si]([C@]12O[C@]([Si](C(C)(C)C)(C)C)([C@@H]3[C@H]1C(=O)N(C3=O)C)c1ccccc21)(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: 8.0227 ± 0.0011 Å
• b: 11.0423 ± 0.0014 Å
• c: 15.171 ± 0.002 Å
• α: 94.253 ± 0.002°
• β: 90.449 ± 0.002°
• γ: 104.816 ± 0.002°
• Cell volume: 1295.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No