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Information card for entry 7156873
Preview
Coordinates | 7156873.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H30 B Cl O4 |
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Calculated formula | C30 H30 B Cl O4 |
Title of publication | Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations. |
Authors of publication | Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 22 |
Pages of publication | 5520 - 5525 |
a | 9.8844 ± 0.0008 Å |
b | 11.0536 ± 0.0008 Å |
c | 12.8011 ± 0.0009 Å |
α | 72.871 ± 0.007° |
β | 85.108 ± 0.006° |
γ | 75.762 ± 0.007° |
Cell volume | 1295.41 ± 0.18 Å3 |
Cell temperature | 150.03 ± 0.1 K |
Ambient diffraction temperature | 150.03 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0786 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1183 |
Weighted residual factors for all reflections included in the refinement | 0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0457 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
225055 (current) | 2019-11-08 | cif/ Updating files of 7156872, 7156873 Original log message: Adding full bibliography for 7156872--7156873.cif. |
7156873.cif |
215343 | 2019-05-21 | cif/ Adding structures of 7156872, 7156873 via cif-deposit CGI script. |
7156873.cif |
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Users of the data should acknowledge the original authors of the
structural data.