Information card for entry 7109206

Structure parameters

• Formula: C21 H33 B F4 N2 O
• Calculated formula: C21 H33 B F4 N2 O
• SMILES: O(c1ccccc1)C1=C(N(C(C)C)C(C)C)C1=[N+](C(C)C)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications
• Authors of publication: Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4145
• a: 11.5251 ± 0.0006 Å
• b: 14.7912 ± 0.0005 Å
• c: 13.2009 ± 0.0005 Å
• α: 90°
• β: 98.893 ± 0.003°
• γ: 90°
• Cell volume: 2223.31 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No