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Information card for entry 1549278
Preview
Coordinates | 1549278.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H19 N O |
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Calculated formula | C20 H19 N O |
SMILES | [C@H]1(c2ccccc2N=C2C(=C(C)C[C@]12c1ccccc1)C)O.[C@@H]1(c2ccccc2N=C2C(=C(C)C[C@@]12c1ccccc1)C)O |
Title of publication | Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. |
Authors of publication | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 19 |
Pages of publication | 4488 - 4492 |
a | 9.5578 ± 0.0012 Å |
b | 20.653 ± 0.002 Å |
c | 8.4644 ± 0.001 Å |
α | 90° |
β | 108.514 ± 0.006° |
γ | 90° |
Cell volume | 1584.4 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0953 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1679 |
Weighted residual factors for all reflections included in the refinement | 0.1948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
228745 (current) | 2019-11-17 | cif/ Updating files of 1549278, 1549279, 1549280, 1549281 Original log message: Adding full bibliography for 1549278--1549281.cif. |
1549278.cif |
207436 | 2018-04-23 | cif/ Adding structures of 1549278, 1549279, 1549280, 1549281 via cif-deposit CGI script. |
1549278.cif |
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Users of the data should acknowledge the original authors of the
structural data.