Information card for entry 1514809

Structure parameters

• Formula: C11 H15 Cl2 N2 P
• Calculated formula: C11 H15 Cl2 N2 P
• SMILES: C1(N(CCN1C)C)=P(c1ccccc1)(Cl)Cl
• Title of publication: (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
• Authors of publication: Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 77
• a: 19.24 ± 0.003 Å
• b: 11.531 ± 0.003 Å
• c: 15.038 ± 0.003 Å
• α: 90°
• β: 128.66 ± 0.03°
• γ: 90°
• Cell volume: 2605.2 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No