Information card for entry 5000398

Structure parameters

• Chemical name: 5,6,8-Tri(t-butyl)-1,2,3,4-tetraphenylnaphthalene
• Formula: C46 H48
• Calculated formula: C46 H48
• Title of publication: Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone
• Authors of publication: Jiajia Zhang; Douglas M. Ho; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10919 - 10926
• a: 10.1358 ± 0.0009 Å
• b: 16.5748 ± 0.0014 Å
• c: 22.172 ± 0.002 Å
• α: 76.86 ± 0.004°
• β: 82.762 ± 0.004°
• γ: 75.525 ± 0.004°
• Cell volume: 3502.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2174
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections: 0.1714
• Weighted residual factors for significantly intense reflections: 0.1331
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No