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Information card for entry 7120933
Preview
Coordinates | 7120933.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | BP-TPY |
---|---|
Formula | C27 H26 B N3 O2 |
Calculated formula | C27 H26 B N3 O2 |
SMILES | O1C(C)(C)C(OB1c1ccc(c2cc(nc(c2)c2ccccn2)c2ccccn2)cc1)(C)C |
Title of publication | Bright NUV mechanofluorescence from a terpyridine-based pure organic crystal. |
Authors of publication | Sun, Qikun; Tang, Liangliang; Zhang, Zhenzhen; Zhang, Kai; Xie, Zongliang; Chi, Zhenguo; Zhang, Haichang; Yang, Wenjun |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 54 |
Journal issue | 1 |
Pages of publication | 94 - 97 |
a | 18.721 ± 0.001 Å |
b | 6.531 ± 0.001 Å |
c | 23.84 ± 0.001 Å |
α | 90° |
β | 128.652 ± 0.016° |
γ | 90° |
Cell volume | 2276.4 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0981 |
Residual factor for significantly intense reflections | 0.0651 |
Weighted residual factors for significantly intense reflections | 0.1334 |
Weighted residual factors for all reflections included in the refinement | 0.147 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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