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Information card for entry 4036223
Preview
Coordinates | 4036223.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H21 Cl2 F N3 O5 |
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Calculated formula | C29 H21 Cl2 F N3 O5 |
Title of publication | (Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction. |
Authors of publication | Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 18 |
Pages of publication | 9007 - 9015 |
a | 11.3709 ± 0.0003 Å |
b | 13.2507 ± 0.0003 Å |
c | 17.985 ± 0.0004 Å |
α | 90° |
β | 94.6808 ± 0.0012° |
γ | 90° |
Cell volume | 2700.8 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0638 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.1253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036223.html
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