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Information card for entry 4029926
Preview
Coordinates | 4029926.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H25 N3 O2 |
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Calculated formula | C32 H25 N3 O2 |
SMILES | c1(c2ccccc2c(=Cc2ccc(cc2)OC)n1)N=c1c2ccccc2c(=Cc2ccc(cc2)OC)[nH]1 |
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 | 6.2684 ± 0.0002 Å |
b | 15.0958 ± 0.0005 Å |
c | 25.284 ± 0.0017 Å |
α | 92.532 ± 0.007° |
β | 91.034 ± 0.006° |
γ | 91.031 ± 0.006° |
Cell volume | 2389.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1043 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029926.html
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