Information card for entry 4125119

Structure parameters

• Formula: C25 H29 F3 N2 O5 S
• Calculated formula: C25 H29 F3 N2 O5 S
• SMILES: O=C1C(C(=O)[N+](=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 8.7865 ± 0.0008 Å
• b: 21.4221 ± 0.0018 Å
• c: 13.4402 ± 0.0011 Å
• α: 90°
• β: 94.5721 ± 0.0017°
• γ: 90°
• Cell volume: 2521.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No