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Information card for entry 7117567
Preview
Coordinates | 7117567.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H20 Cl N3 O |
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Calculated formula | C24 H20 Cl N3 O |
SMILES | O=C1C(=[NH+]c2c1cccc2)c1[nH]c2c(c1Nc1c(cccc1C)C)cccc2.[Cl-] |
Title of publication | Protoisomerization of indigo di- and monoimines. |
Authors of publication | Nicholls-Allison, Emma C; Nawn, Graeme; Patrick, Brian O.; Hicks, Robin G. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 62 |
Pages of publication | 12482 - 12485 |
a | 7.956 ± 0.003 Å |
b | 9.421 ± 0.004 Å |
c | 13.978 ± 0.006 Å |
α | 107.481 ± 0.008° |
β | 96.743 ± 0.008° |
γ | 100.43 ± 0.008° |
Cell volume | 966.2 ± 0.7 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0751 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7117567.html
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