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Information card for entry 1551720
Preview
Coordinates | 1551720.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione |
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Formula | C16 H15 N O4 |
Calculated formula | C16 H15 N O4 |
SMILES | o1c(=O)cc(c2ccc(c(c12)C)C)CN1C(=O)CCC1=O |
Title of publication | Crystal Structure of 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione |
Authors of publication | R., MARULASIDDAIAH; KULKARNI, Manohar V.; SHARMA, Deepak; GUPTA, Vivek K. |
Journal of publication | X-ray Structure Analysis Online |
Year of publication | 2011 |
Journal volume | 27 |
Pages of publication | 41 |
a | 7.309 ± 0.002 Å |
b | 9.677 ± 0.003 Å |
c | 9.746 ± 0.003 Å |
α | 91.096 ± 0.005° |
β | 100.682 ± 0.005° |
γ | 102.191 ± 0.005° |
Cell volume | 660.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0779 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1519 |
Weighted residual factors for all reflections included in the refinement | 0.167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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216332 (current) | 2019-06-20 | cif/ Adding structures of 1551720 via cif-deposit CGI script. |
1551720.cif |
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