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Information card for entry 4026786
Preview
Coordinates | 4026786.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H19 B Br4 F2 N2 S2 |
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Calculated formula | C29 H19 B Br4 F2 N2 S2 |
SMILES | [B]1(F)(F)[n]2c(c(Br)c(Br)c2=C(c2c(Br)c(Br)c(n12)Sc1ccc(cc1)C)c1ccccc1)Sc1ccc(cc1)C |
Title of publication | Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes |
Authors of publication | Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 9988 - 9996 |
a | 19.356 ± 0.002 Å |
b | 27.471 ± 0.003 Å |
c | 5.689 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3025 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 32 |
Hermann-Mauguin space group symbol | P b a 2 |
Hall space group symbol | P 2 -2ab |
Residual factor for all reflections | 0.1053 |
Residual factor for significantly intense reflections | 0.0691 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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