Information card for entry 2240635

Structure parameters

• Chemical name: 1-Nitro-4-(trimethylsilylethynyl)naphthalene
• Formula: C15 H15 N O2 Si
• Calculated formula: C15 H15 N O2 Si
• SMILES: c1(c2ccccc2c(cc1)C#C[Si](C)(C)C)N(=O)=O
• Title of publication: Crystal structure of 1-nitro-4-(trimethylsilylethynyl)naphthalene
• Authors of publication: Du, Jun; Moxey, Graeme J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o311 - o312
• a: 6.9679 ± 0.0009 Å
• b: 9.2425 ± 0.0012 Å
• c: 11.799 ± 0.001 Å
• α: 100.242 ± 0.009°
• β: 99.698 ± 0.009°
• γ: 107.127 ± 0.012°
• Cell volume: 694.62 ± 0.16 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes