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Information card for entry 7152243
Preview
Coordinates | 7152243.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran |
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Chemical name | 3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran |
Formula | C17 H12 Br F O |
Calculated formula | C17 H12 Br F O |
SMILES | Brc1c(F)c(oc1c1ccc(cc1)C)c1ccccc1 |
Title of publication | Room temperature syntheses of entirely diverse substituted β-fluorofurans. |
Authors of publication | Li, Yan; Wheeler, Kraig A.; Dembinski, Roman |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 12 |
Pages of publication | 2395 - 2408 |
a | 33.7073 ± 0.0006 Å |
b | 5.632 ± 0.0001 Å |
c | 14.5599 ± 0.0003 Å |
α | 90° |
β | 97.857 ± 0.001° |
γ | 90° |
Cell volume | 2738.1 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180308 (current) | 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 7/15/22. |
7152243.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152243.cif |
52025 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7152242, 7152243, 7152244 via cif-deposit CGI script. |
7152243.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.