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Information card for entry 4037556
Preview
Coordinates | 4037556.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H20 N2 O2 |
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Calculated formula | C16 H20 N2 O2 |
SMILES | O=C1CC(CC(=O)C1=C1NCCCn2cccc12)(C)C |
Title of publication | Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines. |
Authors of publication | Chithanna, Sivanna; Yang, Ding-Yah |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 3 |
Pages of publication | 1339 - 1347 |
a | 8.2655 ± 0.0007 Å |
b | 9.2448 ± 0.0008 Å |
c | 10.7843 ± 0.0009 Å |
α | 102.597 ± 0.003° |
β | 109.073 ± 0.003° |
γ | 105.449 ± 0.003° |
Cell volume | 707.31 ± 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 | 0.0407 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation probe | x-ray |
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/4037556.html
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