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Information card for entry 7150540
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| Coordinates | 7150540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate |
|---|---|
| Chemical name | Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate |
| Formula | C19 H18 N2 O2 |
| Calculated formula | C19 H18 N2 O2 |
| SMILES | O=C(OC)C(=C\c1c(c2c(N(C)C)cccc2)cccc1)\C#N |
| Title of publication | Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case |
| Authors of publication | O'Leary, Jane; Wallis, John D. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 225 - 228 |
| a | 8.2446 ± 0.0002 Å |
| b | 17.2928 ± 0.0004 Å |
| c | 11.6833 ± 0.0002 Å |
| α | 90° |
| β | 107.177 ± 0.0017° |
| γ | 90° |
| Cell volume | 1591.42 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7150540.cif |
| 180291 | 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 7/15/05. |
7150540.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150540.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150540.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7150540.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150540.cif |
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Users of the data should acknowledge the original authors of the
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