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Information card for entry 4029927
Preview
Coordinates | 4029927.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H24 B F2 N3 O2 |
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Calculated formula | C32 H24 B F2 N3 O2 |
SMILES | C12c3ccccc3C(=Cc3ccc(cc3)OC)N1[B](F)(F)[N]1=C(c3ccccc3C1=Cc1ccc(cc1)OC)N=2 |
Title of publication | Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives. |
Authors of publication | Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 18 |
Pages of publication | 8932 - 8936 |
a | 9.8801 ± 0.0008 Å |
b | 10.3199 ± 0.0009 Å |
c | 14.6283 ± 0.0013 Å |
α | 80.05 ± 0.006° |
β | 71.94 ± 0.005° |
γ | 63.397 ± 0.005° |
Cell volume | 1266.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1315 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.1578 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71075 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/4029927.html
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