Information card for entry 2218118

Structure parameters

• Common name: 1,3,3-trimethyl-1-phenylindane
• Chemical name: 1,1,3-Trimethyl-3-phenylindane
• Formula: C18 H20
• Calculated formula: C18 H20
• SMILES: c12c(cccc2)C(CC1(c1ccccc1)C)(C)C
• Title of publication: 1,1,3-Trimethyl-3-phenylindane
• Authors of publication: Men, Jian; Yang, Mei-Jia; Jiang, Yan; Chen, Hua; Gao, Guo-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o847
• a: 8.192 ± 0.002 Å
• b: 8.426 ± 0.003 Å
• c: 11.113 ± 0.004 Å
• α: 69.3 ± 0.03°
• β: 79.44 ± 0.05°
• γ: 80.37 ± 0.02°
• Cell volume: 701 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes