Information card for entry 4125117

Structure parameters

• Formula: C19 H29 F3 N2 O5 S
• Calculated formula: C18.9999 H29 F2.9997 N2 O4.9997 S0.9999
• Title of publication: Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.
• Authors of publication: Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8639 - 8652
• a: 12.6127 ± 0.0008 Å
• b: 15.2311 ± 0.001 Å
• c: 17.9955 ± 0.0011 Å
• α: 69.5328 ± 0.0015°
• β: 88.0275 ± 0.0013°
• γ: 88.8565 ± 0.0013°
• Cell volume: 3236.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No