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Information card for entry 1558131
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Coordinates | 1558131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 Cl N2 O5 |
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Calculated formula | C28 H24 Cl N2 O5 |
Title of publication | NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones |
Authors of publication | Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong |
Journal of publication | ACS Omega |
Year of publication | 2020 |
Journal volume | 5 |
Journal issue | 22 |
Pages of publication | 13454 - 13461 |
a | 26.429 ± 0.002 Å |
b | 26.429 ± 0.002 Å |
c | 7.867 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5495 ± 0.8 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 5 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.1561 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1877 |
Weighted residual factors for all reflections included in the refinement | 0.2393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1558131.cif |
252440 | 2020-05-29 | cif/ Adding structures of 1558131 via cif-deposit CGI script. |
1558131.cif |
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Users of the data should acknowledge the original authors of the
structural data.