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Information card for entry 4027224
Preview
Coordinates | 4027224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H48 O10 |
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Calculated formula | C75 H48 O10 |
Title of publication | Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones |
Authors of publication | Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 5022 - 5029 |
a | 7.5014 ± 0.0003 Å |
b | 11.778 ± 0.0005 Å |
c | 16.6978 ± 0.0006 Å |
α | 109.783 ± 0.002° |
β | 96.555 ± 0.002° |
γ | 95.722 ± 0.002° |
Cell volume | 1363.95 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0847 |
Residual factor for significantly intense reflections | 0.0739 |
Weighted residual factors for significantly intense reflections | 0.1633 |
Weighted residual factors for all reflections included in the refinement | 0.1674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
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/4027224.html
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