Information card for entry 1544253

Structure parameters

• Chemical name: <i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline
• Formula: C23 H31 N Si2
• Calculated formula: C23 H31 N Si2
• SMILES: C(#C/C=C(C(c1ccccc1)Nc1ccccc1)\[Si](C)(C)C)[Si](C)(C)C
• Title of publication: <i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline
• Authors of publication: Burlakov, Vladimir V.; Spannenberg, Anke; Bogdanov, Vyacheslav S.; Andreev, Maxim V.; Arndt, Perdita; Rosenthal, Uwe
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161559
• a: 11.0662 ± 0.0005 Å
• b: 11.1661 ± 0.0005 Å
• c: 11.2508 ± 0.0005 Å
• α: 65.2268 ± 0.0006°
• β: 67.0573 ± 0.0006°
• γ: 71.9789 ± 0.0006°
• Cell volume: 1144.57 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes