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Information card for entry 4027408
Preview
Coordinates | 4027408.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H32 F6 |
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Calculated formula | C37 H32 F6 |
Title of publication | Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene |
Authors of publication | Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 7124 - 7128 |
a | 6.9096 ± 0.0005 Å |
b | 28.792 ± 0.002 Å |
c | 16.0491 ± 0.0012 Å |
α | 90° |
β | 99.82 ± 0.004° |
γ | 90° |
Cell volume | 3146 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1922 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.1807 |
Weighted residual factors for all reflections included in the refinement | 0.2505 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178453 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/74. |
4027408.cif |
81490 | 2013-04-15 | cif/ Adding structures of 4027408 via cif-deposit CGI script. |
4027408.cif |
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Users of the data should acknowledge the original authors of the
structural data.