Information card for entry 1505329

Structure parameters

• Formula: C15 H21 N O6 Si
• Calculated formula: C15 H21 N O6 Si
• SMILES: [Si]123(OCC[N]3(CCO1)CCO2)C1=CC[C@@]2([C@H](C1)C(=O)OC2=O)C.[Si]123(OCC[N]3(CCO1)CCO2)C1=CC[C@]2([C@@H](C1)C(=O)OC2=O)C
• Title of publication: Preparation of 2-trialkylsiloxy- substituted 1,3-dienes and their diels-alder/cross-coupling reactions.
• Authors of publication: Pidaparthi, Ramakrishna R.; Welker, Mark E.; Day, Cynthia S.; Wright, Marcus W.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1623 - 1626
• a: 11.545 ± 0.002 Å
• b: 10.647 ± 0.002 Å
• c: 12.953 ± 0.003 Å
• α: 90°
• β: 96.352 ± 0.003°
• γ: 90°
• Cell volume: 1582.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No