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Information card for entry 7105444
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7105444.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H19 N O4 |
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Calculated formula | C18 H19 N O4 |
Title of publication | One-pot synthesis of substituted isoindolin-1-ones via lithiation and substitution of N'-benzyl-N,N-dimethylureas. |
Authors of publication | Smith, Keith; El-Hiti, Gamal A; Hegazy, Amany S |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 2790 - 2792 |
a | 7.5698 ± 0.0006 Å |
b | 9.2785 ± 0.0008 Å |
c | 12.2934 ± 0.001 Å |
α | 78.473 ± 0.004° |
β | 82.365 ± 0.004° |
γ | 70.596 ± 0.003° |
Cell volume | 795.91 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1491 |
Residual factor for significantly intense reflections | 0.0774 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.2035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 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/7105444.html
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Users of the data should acknowledge the original authors of the
structural data.