Information card for entry 7029588

Structure parameters

• Formula: C17 H24 N2 O2 Si
• Calculated formula: C17 H24 N2 O2 Si
• SMILES: [Si](CCCCN1C=C(C(=O)NC1=O)C)(C)(C)c1ccccc1
• 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: 8.0964 ± 0.0004 Å
• b: 8.3765 ± 0.0005 Å
• c: 13.0731 ± 0.0007 Å
• α: 98.284 ± 0.003°
• β: 92.095 ± 0.003°
• γ: 99.84 ± 0.002°
• Cell volume: 862.75 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No