Information card for entry 7150424

Structure parameters

• Formula: C22 H28 N4 O Si
• Calculated formula: C22 H28 N4 O Si
• SMILES: [Si](OC1=C([C@@H]2C(C([C@H]1[C@@H](C2)C(=C)C)(C#N)C#N)(C#N)C#N)C)(C)(C)C(C)(C)C
• Title of publication: Facial selectivity in the 4 + 2 reactions of a diene derived from carvone
• Authors of publication: Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1160
• a: 7.4112 ± 0.0004 Å
• b: 15.3453 ± 0.0008 Å
• c: 19.811 ± 0.001 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 90°
• Cell volume: 2253 ± 0.2 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections: 1.353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No