Information card for entry 7113051

Structure parameters

• Common name: 9,10-dihexyl-triptycene
• Formula: C32 H38
• Calculated formula: C32 H38
• Title of publication: Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry.
• Authors of publication: Williams, Kyle A.; Bielawski, Christopher W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5166 - 5168
• a: 69.417 ± 0.014 Å
• b: 8.3391 ± 0.0017 Å
• c: 33.478 ± 0.007 Å
• α: 90°
• β: 117.24 ± 0.03°
• γ: 90°
• Cell volume: 17230 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No