Information card for entry 7154911

Structure parameters

• Formula: C28 H31 N Si
• Calculated formula: C28 H31 N Si
• SMILES: [Si](C(C)C)(C(C)C)(C#Cc1cc2c(ccc1)c(c(c2)c1ccccc1)C#N)C(C)C
• Title of publication: Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.
• Authors of publication: Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2403 - 2412
• a: 7.8828 ± 0.0006 Å
• b: 19.5599 ± 0.0018 Å
• c: 15.6723 ± 0.0015 Å
• α: 90°
• β: 99.621 ± 0.003°
• γ: 90°
• Cell volume: 2382.5 ± 0.4 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No