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Information card for entry 1540415
Preview
Coordinates | 1540415.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H15 N Se |
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Calculated formula | C16 H15 N Se |
SMILES | [Se]=C=NCCC(c1ccccc1)c1ccccc1 |
Title of publication | Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication |
Authors of publication | Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming |
Journal of publication | RSC Advances |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 118 |
Pages of publication | 97113 - 97120 |
a | 14.8679 ± 0.0009 Å |
b | 10.004 ± 0.0006 Å |
c | 18.5854 ± 0.0011 Å |
α | 90° |
β | 98.871 ± 0.002° |
γ | 90° |
Cell volume | 2731.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1540415.cif |
214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1540415.cif |
169708 | 2015-10-23 | cif/ Adding structures of 1540412, 1540413, 1540414, 1540415 via cif-deposit CGI script. |
1540415.cif |
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Users of the data should acknowledge the original authors of the
structural data.