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Information card for entry 1556722
Preview
Coordinates | 1556722.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 N O |
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Calculated formula | C19 H15 N O |
SMILES | c1c(c2ccccc2n1C)CC(=O)C#Cc1ccccc1 |
Title of publication | Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones |
Authors of publication | Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 5 |
Pages of publication | 1353 - 1360 |
a | 7.4225 ± 0.00012 Å |
b | 9.90594 ± 0.00016 Å |
c | 19.5109 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1434.57 ± 0.04 Å3 |
Cell temperature | 110 ± 0.1 K |
Ambient diffraction temperature | 110 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0257 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0605 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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 |
---|---|---|---|
257308 (current) | 2020-10-06 | cif/ Updating files of 1556719, 1556720, 1556721, 1556722, 1556723 Original log message: Adding full bibliography for 1556719--1556723.cif. |
1556722.cif |
248880 | 2020-03-05 | cif/ Updating files of 1556719, 1556720, 1556721, 1556722, 1556723 Original log message: Adding full bibliography for 1556719--1556723.cif. |
1556722.cif |
245549 | 2019-12-24 | cif/ Adding structures of 1556719, 1556720, 1556721, 1556722, 1556723 via cif-deposit CGI script. |
1556722.cif |
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Users of the data should acknowledge the original authors of the
structural data.