Information card for entry 2219913

Structure parameters

• Common name: 1,3,3-trimethyl-1-(4-nitrophenyl)indane
• Chemical name: 1,1,3-Trimethyl-3-(4-nitrophenyl)indane
• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: O=N(=O)c1ccc(cc1)C1(C)CC(C)(C)c2ccccc12
• Title of publication: 1,1,3-Trimethyl-3-(4-nitrophenyl)indane
• Authors of publication: Men, Jian; Yi, Shi-Xu; Bo, Fang; Chen, Hua; Gao, Guo-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2192
• a: 11.305 ± 0.004 Å
• b: 11.422 ± 0.002 Å
• c: 11.963 ± 0.002 Å
• α: 90°
• β: 102.32 ± 0.04°
• γ: 90°
• Cell volume: 1509.2 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes