Information card for entry 2241500

Structure parameters

• Chemical name: 4,8-Di-<i>tert</i>-butyl-6,6-dichloro-13-ethyl-2,10-dimethyl-13,14-dihydro-12<i>H</i>-dibenzo[<i>d</i>,<i>i</i>][1,3,7,2]dioxazasilecine toluene 0.25-solvate
• Formula: C55.5 H78 Cl4 N2 O4 Si2
• Calculated formula: C55.5 H78 Cl4 N2 O4 Si2
• Title of publication: Crystal structure of 4,8-di-<i>tert</i>-butyl-6,6-dichloro-13-ethyl-2,10-dimethyl-13,14-dihydro-12<i>H</i>-dibenzo[<i>d</i>,<i>i</i>][1,3,7,2]dioxazasilecine toluene 0.25-solvate
• Authors of publication: Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Karlov, Sergey S.; Egorov, Mikhail P.; Churakov, Andrei V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1065 - o1066
• a: 13.9017 ± 0.0009 Å
• b: 13.9542 ± 0.0009 Å
• c: 16.9827 ± 0.0011 Å
• α: 69.649 ± 0.001°
• β: 65.978 ± 0.001°
• γ: 83.585 ± 0.001°
• Cell volume: 2819.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes