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Information card for entry 7017322
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Coordinates | 7017322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 N3 |
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Calculated formula | C15 H13 N3 |
SMILES | n1ccccc1c1nc(ccc1)c1n(ccc1)C |
Title of publication | The intramolecular aryl embrace: from light emission to light absorption. |
Authors of publication | Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 46 |
Pages of publication | 12584 - 12594 |
a | 8.9873 ± 0.0007 Å |
b | 10.3479 ± 0.0007 Å |
c | 12.9086 ± 0.001 Å |
α | 98.4 ± 0.004° |
β | 99.933 ± 0.004° |
γ | 90.639 ± 0.004° |
Cell volume | 1169 ± 0.15 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0923 |
Residual factor for significantly intense reflections | 0.0832 |
Weighted residual factors for all reflections | 0.1079 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9314 |
Diffraction radiation wavelength | 0.71073 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/7017322.html
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