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Information card for entry 1503441
Preview
Coordinates | 1503441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 F12 N2 P2 |
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Calculated formula | C16 H14 F12 N2 P2 |
SMILES | [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n+]1(C)cc2c3c4c(c[n+](C)cc4cc2)ccc3c1 |
Title of publication | Photoresponsive host-guest systems based on a new azobenzene-containing cryptand. |
Authors of publication | Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 2558 - 2561 |
a | 6.7733 ± 0.0005 Å |
b | 10.6708 ± 0.0006 Å |
c | 13.4177 ± 0.0006 Å |
α | 90° |
β | 91.054 ± 0.005° |
γ | 90° |
Cell volume | 969.62 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0728 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1765 |
Weighted residual factors for all reflections included in the refinement | 0.1906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1503441.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. |
1503441.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503441.cif |
37312 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503440, 1503441 via cif-deposit CGI script. |
1503441.cif |
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Users of the data should acknowledge the original authors of the
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