Information card for entry 1543937

Structure parameters

• Formula: C23 H25 F3 N4
• Calculated formula: C23 H25 F3 N4
• SMILES: N(/N=C/C(F)(F)F)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C
• Title of publication: Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.
• Authors of publication: Guo, Ran; Zheng, Yan; Ma, Jun-An
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4170 - 4173
• a: 8.1397 ± 0.0007 Å
• b: 21.9119 ± 0.0018 Å
• c: 12.7475 ± 0.0011 Å
• α: 90°
• β: 95.889 ± 0.002°
• γ: 90°
• Cell volume: 2261.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No