Information card for entry 7104837

Structure parameters

• Formula: C18 H28 N2 O2 S Si
• Calculated formula: C18 H28 N2 O2 S Si
• SMILES: Cc1ccc(cc1)S(=O)(=O)NN1[C@]2(C)CC[C@]1(C(=C)C2)[Si](C)(C)C.Cc1ccc(cc1)S(=O)(=O)NN1[C@@]2(C)CC[C@@]1(C(=C)C2)[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: 14.291 ± 0.003 Å
• b: 11.709 ± 0.002 Å
• c: 13.341 ± 0.003 Å
• α: 90°
• β: 115.86 ± 0.03°
• γ: 90°
• Cell volume: 2008.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1251
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No