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Information card for entry 4029939
Preview
Coordinates | 4029939.cif |
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Original paper (by DOI) | HTML |
Chemical name | 6H-quinazolino[4,3-b]quinazoline-6,8(5H)-dione |
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Formula | C15 H9 N3 O2 |
Calculated formula | C15 H9 N3 O2 |
SMILES | c12c3c(NC(=O)n2c(=O)c2c(n1)cccc2)cccc3 |
Title of publication | Oxidative ring expansion of spirocyclic oxindole derivatives. |
Authors of publication | Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 19 |
Pages of publication | 9065 - 9073 |
a | 7.0598 ± 0.0004 Å |
b | 8.494 ± 0.0005 Å |
c | 10.5944 ± 0.0006 Å |
α | 97.816 ± 0.003° |
β | 93.664 ± 0.002° |
γ | 113.447 ± 0.003° |
Cell volume | 572.54 ± 0.06 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0739 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/4029939.html
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