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Information card for entry 7157465
Preview
Coordinates | 7157465.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H22 N4 O2 S |
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Calculated formula | C26 H22 N4 O2 S |
SMILES | S(=O)(=O)(c1ccc(C)cc1)N1N=C(N2c3c(n4c(ccc4)C12)cccc3)c1ccc(cc1)C |
Title of publication | KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones. |
Authors of publication | Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 3360 - 3366 |
a | 11.5618 ± 0.0005 Å |
b | 20.0595 ± 0.001 Å |
c | 20.7439 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4811 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1026 |
Residual factor for significantly intense reflections | 0.0924 |
Weighted residual factors for significantly intense reflections | 0.2486 |
Weighted residual factors for all reflections included in the refinement | 0.2593 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
252909 (current) | 2020-06-05 | cif/ Updating files of 7157465 Original log message: Adding full bibliography for 7157465.cif. |
7157465.cif |
250765 | 2020-04-15 | cif/ Adding structures of 7157465 via cif-deposit CGI script. |
7157465.cif |
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