Information card for entry 1516081

Structure parameters

• Formula: C14 H17 B F2 N4
• Calculated formula: C14 H17 B F2 N4
• SMILES: F[B]1(F)n2c(N=[N]1c1ccc(N(C)C)cc1)ccc2CC
• Title of publication: Three-stage binary switching of azoaromatic polybase.
• Authors of publication: Lee, Ho Yong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6286 - 6289
• a: 7.3413 ± 0.0005 Å
• b: 7.5696 ± 0.0005 Å
• c: 13.1377 ± 0.0008 Å
• α: 96.128 ± 0.001°
• β: 99.18 ± 0.001°
• γ: 95.256 ± 0.001°
• Cell volume: 712.2 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No