Information card for entry 7113654

Structure parameters

• Formula: C18 H28 N2 O2 S Si
• Calculated formula: C18 H28 N2 O2 S Si
• SMILES: C=C1C[C@@H]2CC[C@@H]([C@H]1N2NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)C.C=C1C[C@H]2CC[C@H]([C@@H]1N2NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)C
• Title of publication: Lewis acid mediated cyclisations of silylated methylenecyclopropyl hydrazones
• Authors of publication: Patient, Lee; Berry, Malcolm B.; Coles, Simon J.; Hursthouse, Mike B.; Kilburn, Jeremy D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2552 - 2553
• a: 9.4824 ± 0.0002 Å
• b: 22.6655 ± 0.0006 Å
• c: 10.0368 ± 0.0003 Å
• α: 90°
• β: 116.14 ± 0.001°
• γ: 90°
• Cell volume: 1936.51 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104842
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No