Information card for entry 4024662

Structure parameters

• Common name: 1,3,6,8-tetrakis(tert-butyldimethylsilyl) naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran
• Chemical name: 1,3,6,8-tetrakis(tert-butyldimethylsilyl) naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran
• Formula: C38 H64 O2 Si4
• Calculated formula: C38 H64 O2 Si4
• SMILES: c1(c2c(c(o1)[Si](C(C)(C)C)(C)C)c1ccc3c(oc(c3c1cc2)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](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: 6.8355 ± 0.0005 Å
• b: 11.3386 ± 0.0008 Å
• c: 14.1413 ± 0.001 Å
• α: 72.072 ± 0.001°
• β: 88.266 ± 0.001°
• γ: 79.759 ± 0.001°
• Cell volume: 1025.84 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No