Information card for entry 7110806

Structure parameters

• Formula: C18 H24
• Calculated formula: C18 H24
• SMILES: c1c(ccc2cc(ccc12)C(C)(C)C)C(C)(C)C
• Title of publication: Superlattices, polymorphs and solid-state NMR spin–lattice relaxation (T1) measurements of 2,6-di-tert-butylnaphthalene
• Authors of publication: Rheingold, Arnold L.; Figueroa, Joshua S.; Dybowski, Cecil; Beckmann, Peter A.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 651
• a: 11.3649 ± 0.0004 Å
• b: 9.9406 ± 0.0003 Å
• c: 6.6728 ± 0.0002 Å
• α: 90°
• β: 93.943 ± 0.002°
• γ: 90°
• Cell volume: 752.07 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections: 0.2427
• Weighted residual factors for significantly intense reflections: 0.1724
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for significantly intense reflections: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No