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Information card for entry 4109315
Preview
| Coordinates | 4109315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C12 H12 N2 O2 |
|---|---|
| Calculated formula | C12 H12 N2 O2 |
| SMILES | O=C1N(C(=NC\1=C/c1c(O)cccc1)C)C |
| Title of publication | Ortho Green Fluorescence Protein Synthetic Chromophore; Excited-State Intramolecular Proton Transfer via a Seven-Membered-Ring Hydrogen-Bonding System |
| Authors of publication | Kew-Yu Chen; Yi-Ming Cheng; Cheng-Hsuan Lai; Cheng-Chih Hsu; Mei-Lin Ho; Gene-Hsiang Lee; Pi-Tai Chou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 4534 - 4535 |
| a | 7.4166 ± 0.0006 Å |
| b | 6.8485 ± 0.0007 Å |
| c | 20.6409 ± 0.0016 Å |
| α | 90° |
| β | 100.035 ± 0.005° |
| γ | 90° |
| Cell volume | 1032.37 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.097 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4109315.cif |
| 178839 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93. |
4109315.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 {}' |
4109315.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109315.cif |
| 58080 | 2012-05-24 | cif/ Adding structures of 4109315 via cif-deposit CGI script. |
4109315.cif |
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Users of the data should acknowledge the original authors of the
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