Information card for entry 7010276

Structure parameters

• Formula: C18 B3 F15 N18
• Calculated formula: C18 B3 F15 N18
• SMILES: Fc1c(F)c(F)c(F)c(F)c1[B]1([N](=N#N)[B]([N](=N#N)[B]([N]1=N#N)(N=N#N)c1c(F)c(F)c(F)c(F)c1F)(N=N#N)c1c(F)c(F)c(F)c(F)c1F)N=N#N
• Title of publication: Oligomeric pentafluorophenylboron azides
• Authors of publication: Fraenk, Wolfgang; Klapötke, Thomas M.; Krumm, Burkhard; Nöth, Heinrich; Suter, Max; Warchhold, Marcus
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4635
• a: 14.9184 ± 0.0013 Å
• b: 13.0142 ± 0.0011 Å
• c: 28.84 ± 0.002 Å
• α: 90°
• β: 97.463 ± 0.001°
• γ: 90°
• Cell volume: 5551.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No