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Information card for entry 7203011
Preview
Coordinates | 7203011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 B N O3 |
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Calculated formula | C26 H22 B N O3 |
SMILES | [B]12(Oc3ccc(cc3c3[n]2c(ccc3)c2cc(ccc2O1)C)C)c1ccc(OC)cc1 |
Title of publication | Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions |
Authors of publication | Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue |
Journal of publication | CrystEngComm |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 10 |
Pages of publication | 951 |
a | 13.1 ± 0.003 Å |
b | 8.6206 ± 0.0017 Å |
c | 18.923 ± 0.004 Å |
α | 90° |
β | 106.7 ± 0.03° |
γ | 90° |
Cell volume | 2046.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1195 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
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/7203011.html
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