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Information card for entry 1516489
Preview
| Coordinates | 1516489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N O |
|---|---|
| Calculated formula | C27 H23 N O |
| SMILES | O(c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C |
| Title of publication | Origin of the N-methyl and N-phenyl substituent effects on the fluorescence vibronic structures of trans-4-aminostilbene and its derivatives in hexane |
| Authors of publication | Yang, Jye-Shane; Wang, Chin-Min; Hwang, Chung-Yu; Liau, Kang-Ling; Chiou, Shih-Yi |
| Journal of publication | Photochemical & Photobiological Sciences |
| Year of publication | 2003 |
| Journal volume | 2 |
| Journal issue | 11 |
| Pages of publication | 1225 - 1231 |
| a | 10.872 ± 0.002 Å |
| b | 23.494 ± 0.005 Å |
| c | 24.378 ± 0.005 Å |
| α | 90° |
| β | 93.585 ± 0.005° |
| γ | 90° |
| Cell volume | 6215 ± 2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2682 |
| Residual factor for significantly intense reflections | 0.1055 |
| Weighted residual factors for significantly intense reflections | 0.2354 |
| Weighted residual factors for all reflections included in the refinement | 0.2901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1516489.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516489.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
1516489.cif |
| 132762 | 2015-03-04 | Fixing some Z values and formulae |
1516489.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 {}' |
1516489.cif |
| 115432 | 2014-06-03 | cif/ Adding structures of 1516489 via cif-deposit CGI script. |
1516489.cif |
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Users of the data should acknowledge the original authors of the
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