Information card for entry 7029587

Structure parameters

• Formula: C11 H18 N2 O2 Si
• Calculated formula: C11 H18 N2 O2 Si
• SMILES: [Si](Oc1nc(=O)n(CC=C)cc1C)(C)(C)C
• Title of publication: Biomimetic polyorganosiloxanes: model compounds for new materials.
• Authors of publication: Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7734 - 7746
• a: 13.0223 ± 0.0002 Å
• b: 17.477 ± 0.0003 Å
• c: 12.0846 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2750.34 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No