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Information card for entry 7151831
Preview
Coordinates | 7151831.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C27 H17 Cl2 N Se2 |
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Calculated formula | C27 H17 Cl2 N Se2 |
SMILES | [Se](c1nc2ccccc2c([Se]c2ccc(Cl)cc2)c1c1ccccc1)c1ccc(Cl)cc1 |
Title of publication | Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines. |
Authors of publication | Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 10 |
Pages of publication | 3768 - 3775 |
a | 6.0736 ± 0.0003 Å |
b | 11.6934 ± 0.0005 Å |
c | 17.749 ± 0.0009 Å |
α | 74.4693 ± 0.0012° |
β | 86.7204 ± 0.0013° |
γ | 73.3481 ± 0.0013° |
Cell volume | 1163.33 ± 0.1 Å3 |
Cell temperature | 103.1 K |
Ambient diffraction temperature | 103.1 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 significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.1941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151831.cif |
176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151831.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151831.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151831.cif |
21285 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151831 via cif-deposit CGI script. |
7151831.cif |
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Users of the data should acknowledge the original authors of the
structural data.