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Information card for entry 4125623
Preview
Coordinates | 4125623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H14 O |
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Calculated formula | C15 H14 O |
SMILES | O1Cc2c(cccc2)c2c(CC1)cccc2 |
Title of publication | Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation. |
Authors of publication | Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 1 |
Pages of publication | 245 - 254 |
a | 7.69025 ± 0.00007 Å |
b | 13.54657 ± 0.00017 Å |
c | 20.9417 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2181.63 ± 0.04 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0515 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.137 |
Weighted residual factors for all reflections included in the refinement | 0.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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193026 (current) | 2017-03-04 | cif/ Adding structures of 4125623 via cif-deposit CGI script. |
4125623.cif |
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Users of the data should acknowledge the original authors of the
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