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Information card for entry 1551070
Preview
Coordinates | 1551070.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H23 N O |
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Calculated formula | C26 H23 N O |
SMILES | O=C([C@](c1ccccc1)(Cc1ccccc1)CC=C)n1ccc2ccccc12 |
Title of publication | Palladium-catalyzed enantioselective decarboxylative allylic alkylation of fully substituted N-acyl indole-derived enol carbonates |
Authors of publication | Alexy, Eric J.; Fulton, Tyler J.; Zhang, Haiming; Stoltz, Brian M. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 11.2225 ± 0.001 Å |
b | 6.4382 ± 0.0006 Å |
c | 14.0893 ± 0.0013 Å |
α | 90° |
β | 99.6595 ± 0.0018° |
γ | 90° |
Cell volume | 1003.56 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0265 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0682 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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215290 (current) | 2019-05-18 | cif/ Adding structures of 1551070 via cif-deposit CGI script. |
1551070.cif |
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