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Information card for entry 1516171
Preview
Coordinates | 1516171.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H24 B2 F4 N4 |
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Calculated formula | C18 H24 B2 F4 N4 |
SMILES | [B]1(F)(F)n2c(c(c(c2C=[N]2[B](F)(F)n3c(c(c(c3C=[N]12)C)CC)C)C)CC)C |
Title of publication | Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. |
Authors of publication | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 11 |
Pages of publication | 3048 - 3051 |
a | 9.676 ± 0.0018 Å |
b | 13.659 ± 0.003 Å |
c | 15.313 ± 0.003 Å |
α | 90° |
β | 103.66 ± 0.002° |
γ | 90° |
Cell volume | 1966.6 ± 0.7 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1254 |
Residual factor for significantly intense reflections | 0.0663 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.1998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516171.cif |
119318 | 2014-07-05 | cif/ Updating files of 1516169, 1516170, 1516171, 1516172, 1516173 Original log message: Adding full bibliography for 1516169--1516173.cif. |
1516171.cif |
114114 | 2014-05-22 | cif/ Adding structures of 1516169, 1516170, 1516171, 1516172, 1516173 via cif-deposit CGI script. |
1516171.cif |
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Users of the data should acknowledge the original authors of the
structural data.