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Information card for entry 7218445
Preview
Coordinates | 7218445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H23 B F2 N2 O3 |
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Calculated formula | C28 H23 B F2 N2 O3 |
SMILES | c12cc3c(c4c(CC3)cc(cc4)OC)n1[B]([n]1c(=C2C=O)cc2c1c1c(CC2)cc(OC)cc1)(F)F |
Title of publication | A turn-on NIR fluorescent probe for the detection of homocysteine over cysteine |
Authors of publication | Zhang, Jian; Jiang, Xin-Dong; Shao, Xiangmin; Zhao, Jiuli; Su, Yanjun; Xi, Dongmei; Yu, Haifeng; Yue, Shuai; Xiao, Lin-jiu; Zhao, Weili |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 7.704 ± 0.002 Å |
b | 12.3376 ± 0.0002 Å |
c | 13.3334 ± 0.0005 Å |
α | 63.617 ± 0.003° |
β | 81.76 ± 0.003° |
γ | 88.163 ± 0.003° |
Cell volume | 1122.9 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0692 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1301 |
Weighted residual factors for all reflections included in the refinement | 0.1506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.