Information card for entry 7201444

Structure parameters

• Formula: C9 H10 B F4 N5 O
• Calculated formula: C9 H10 B F4 N5 O
• SMILES: [B](F)(F)(F)[F-].O=C(N)C[n+]1ccn(c2ncccn2)c1
• Title of publication: Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts
• Authors of publication: Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2804
• a: 15.0019 ± 0.0017 Å
• b: 5.3086 ± 0.0006 Å
• c: 15.7979 ± 0.0017 Å
• α: 90°
• β: 112.159 ± 0.002°
• γ: 90°
• Cell volume: 1165.2 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No