Information card for entry 7112156

Structure parameters

• Common name: dimesitylsilanediol with 7-azaindole
• Formula: C25 H30 N2 O2 Si
• Calculated formula: C25 H30 N2 O2 Si
• SMILES: [Si](O)(O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[nH]1c2ncccc2cc1
• Title of publication: Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles
• Authors of publication: Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3738
• a: 11.9457 ± 0.001 Å
• b: 11.0271 ± 0.001 Å
• c: 17.2592 ± 0.0015 Å
• α: 90°
• β: 97.921 ± 0.001°
• γ: 90°
• Cell volume: 2251.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No