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Information card for entry 7134749
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Coordinates | 7134749.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H10 F2 I N O |
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Calculated formula | C11 H10 F2 I N O |
Title of publication | Pd-Catalyzed Enantioselective Reductive Heck Reaction of mono-Fluoro, gem-Difluoro, and Trifluoromethyl tethered-Alkenes |
Authors of publication | Sihag, Naveen; Bhartiya, Hemaang; Jain, Swati; Singh, Jitendra; Rajagopala Reddy, S.; Yadav, M. Ramu |
Journal of publication | Chemical Communications |
Year of publication | 2025 |
a | 20.4768 ± 0.0011 Å |
b | 11.5083 ± 0.0006 Å |
c | 14.185 ± 0.0008 Å |
α | 90° |
β | 132.601 ± 0.001° |
γ | 90° |
Cell volume | 2460.5 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0682 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0381 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300145 (current) | 2025-06-21 | cif/ Adding structures of 7134747, 7134748, 7134749 via cif-deposit CGI script. |
7134749.cif |
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Users of the data should acknowledge the original authors of the
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