Information card for entry 1569334

Structure parameters

• Common name: 23003z
• Formula: C31.5 H30.75 N2.25 O3 Si
• Calculated formula: C31.5 H30.75 N2.25 O3 Si
• SMILES: [Si](c1c(c2Nc3c(N(c2c2c1C(=O)c1cc(OC)c(OC)cc21)c1ccccc1)cccc3)C)(C)(C)C.N#CC
• Title of publication: The contrasting reactivity of <i>trans</i>- <i>vs. cis</i>-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.
• Authors of publication: Sneddon, Dorian S.; Hoye, Thomas R.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6730 - 6737
• a: 11.824 ± 0.004 Å
• b: 19.935 ± 0.006 Å
• c: 24.553 ± 0.008 Å
• α: 105.035 ± 0.007°
• β: 102.319 ± 0.007°
• γ: 97.01 ± 0.008°
• Cell volume: 5363 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.1737
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No