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Information card for entry 7151771
Preview
Coordinates | 7151771.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C23 H14 Br N O |
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Calculated formula | C23 H14 Br N O |
SMILES | Brc1ccccc1c1cc(c(c2ccccc2)o1)c1ccc(C#N)cc1 |
Title of publication | A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions. |
Authors of publication | Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 2098 - 2106 |
a | 8.4569 ± 0.0002 Å |
b | 21.6536 ± 0.0007 Å |
c | 10.4183 ± 0.0003 Å |
α | 90° |
β | 111.158 ± 0.002° |
γ | 90° |
Cell volume | 1779.21 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0402 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 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. |
7151771.cif |
180303 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151771.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151771.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151771.cif |
21260 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151769, 7151770, 7151771 via cif-deposit CGI script. |
7151771.cif |
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Users of the data should acknowledge the original authors of the
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