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Information card for entry 7051026
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Coordinates | 7051026.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | 4-phenil-4-(N-ciclohexyl)imidoyl-6-(4-methylphenyl)- 2-methoxi-3,4-dihydropyridin |
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Formula | C26 H30 N2 O |
Calculated formula | C26 H30 N2 O |
SMILES | C1(=NC(=CC(C1)(c1ccccc1)/C=N/C1CCCCC1)c1ccc(cc1)C)OC |
Title of publication | Reaction of Fischer alkynylcarbene complexes with 1-azadiene derivatives: unexpected formation of 3,4-dihydropyridines |
Authors of publication | José Barluenga; Miguel Tomás; Alfredo Ballesteros; Javier Santamaría; Raúl Corzo-Suárez; Santiago García-Granda |
Journal of publication | New J. Chem. |
Year of publication | 2001 |
Journal volume | 25 |
Journal issue | 1 |
Pages of publication | 8 - 10 |
a | 6.632 ± 0.002 Å |
b | 19.859 ± 0.002 Å |
c | 34.049 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4484.4 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P b c 21 |
Hall space group symbol | P 2c -2b |
Residual factor for all reflections | 0.245 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1485 |
Weighted residual factors for all reflections included in the refinement | 0.2829 |
Goodness-of-fit parameter for all reflections | 1.029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.306 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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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. |
7051026.cif |
180064 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/10. |
7051026.cif |
130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7051026.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7051026.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7051026.cif |
3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7051026.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7051026.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7051026.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7051026.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7051026.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7051026.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.