Information card for entry 7104839

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@H]2CCC[C@@]1(C(=C)C2)[Si](C)(C)C.Cc1ccc(cc1)S(=O)(=O)NN1[C@@H]2CCC[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: 8.9559 ± 0.0004 Å
• b: 9.0489 ± 0.0004 Å
• c: 24.0779 ± 0.0013 Å
• α: 85.016 ± 0.002°
• β: 88.263 ± 0.001°
• γ: 87.538 ± 0.002°
• Cell volume: 1941.43 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No