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Information card for entry 4026281
Preview
Coordinates | 4026281.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 B F2 N3 O |
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Calculated formula | C22 H20 B F2 N3 O |
SMILES | Oc1c2ncccc2c(C2=c3[n](c(cc3C)C)[B](n3c2c(cc3C)C)(F)F)cc1 |
Title of publication | 8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties |
Authors of publication | Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 3774 - 3781 |
a | 8.8527 ± 0.0012 Å |
b | 10.5888 ± 0.0015 Å |
c | 11.3977 ± 0.0016 Å |
α | 90.588 ± 0.002° |
β | 106.949 ± 0.002° |
γ | 109.116 ± 0.002° |
Cell volume | 959 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.1689 |
Weighted residual factors for all reflections included in the refinement | 0.1822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026281.html
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