Information card for entry 4085474

Structure parameters

• Chemical name: (PhCCPh)Si(NDipp)(SiMe3)Si(SiMe3)3
• Formula: C38 H63 N Si6
• Calculated formula: C38 H63 N Si6
• SMILES: [Si]1([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)C(=C1c1ccccc1)c1ccccc1
• Title of publication: Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry
• Authors of publication: Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2126
• a: 9.9278 ± 0.0001 Å
• b: 11.8017 ± 0.0001 Å
• c: 18.746 ± 0.0003 Å
• α: 98.3341 ± 0.0005°
• β: 92.6338 ± 0.0005°
• γ: 96.0275 ± 0.0006°
• Cell volume: 2156.98 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1125
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No