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Information card for entry 4032487
Preview
Coordinates | 4032487.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H12 N2 |
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Calculated formula | C19 H12 N2 |
SMILES | n1c(c2n3c(ccc2)c2ccccc2c13)c1ccccc1 |
Title of publication | General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores. |
Authors of publication | Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 10 |
Pages of publication | 5046 - 5067 |
a | 12.6062 ± 0.0008 Å |
b | 15.8957 ± 0.001 Å |
c | 6.5668 ± 0.0004 Å |
α | 90° |
β | 99.593 ± 0.003° |
γ | 90° |
Cell volume | 1297.48 ± 0.14 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.0638 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.13 |
Weighted residual factors for all reflections included in the refinement | 0.1414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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