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Information card for entry 1506153
Preview
Coordinates | 1506153.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C110 H86 N8 O Zn |
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Calculated formula | C110 H86 N8 O Zn |
Title of publication | Synthesis, structure, and optical and electrochemical properties of star-shaped porphyrin-triarylamine conjugates. |
Authors of publication | Yen, Wei-Nan; Lo, Shang-Shih; Kuo, Ming-Cheng; Mai, Chi-Lun; Lee, Gene-Hsiang; Peng, Shie-Ming; Yeh, Chen-Yu |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 19 |
Pages of publication | 4239 - 4242 |
a | 10.7956 ± 0.0003 Å |
b | 20.8712 ± 0.0005 Å |
c | 22.6826 ± 0.0006 Å |
α | 91.146 ± 0.001° |
β | 114.327 ± 0.001° |
γ | 89.589 ± 0.001° |
Cell volume | 4656.1 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1224 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.2235 |
Weighted residual factors for all reflections included in the refinement | 0.2548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1506153.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 {}' |
1506153.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506153.cif |
48041 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506153 via cif-deposit CGI script. |
1506153.cif |
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