Information card for entry 4083264

Structure parameters

• Common name: 2-[dihydroxy(mesityl)silyl]-N,N-diisopropylnaphthalene-1-carboxamide with water solvate
• Formula: C26 H34 N O3.5 Si
• Calculated formula: C26 H34 N O3.5 Si
• SMILES: [Si](O)(O)(c1ccc2ccccc2c1C(=O)N(C(C)C)C(C)C)c1c(cc(cc1C)C)C.O
• Title of publication: NMR and X-ray Studies of Hydrogen Bonding for Amide-Containing Silanediols
• Authors of publication: Wilson, Sean O.; Tran, Ngon T.; Franz, Annaliese K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6715 - 6718
• a: 10.944 ± 0.003 Å
• b: 14.793 ± 0.005 Å
• c: 16.344 ± 0.003 Å
• α: 96.38 ± 0.02°
• β: 100.07 ± 0.02°
• γ: 110.888 ± 0.019°
• Cell volume: 2390.4 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1105
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4078999
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No