Information card for entry 7113650

Structure parameters

• Formula: C17 H26 N2 O2 S Si
• Calculated formula: C17 H26 N2 O2 S Si
• SMILES: Cc1ccc(cc1)S(=O)(=O)NN1[C@H]2CC[C@@]1(C(=C)C2)[Si](C)(C)C.Cc1ccc(cc1)S(=O)(=O)NN1[C@@H]2CC[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: 8.5369 ± 0.0004 Å
• b: 9.7508 ± 0.0004 Å
• c: 12.0846 ± 0.0007 Å
• α: 113.047 ± 0.002°
• β: 96.842 ± 0.002°
• γ: 93.051 ± 0.004°
• Cell volume: 913.55 ± 0.08 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: 0.0722
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104838
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No