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Information card for entry 1504165
Preview
Coordinates | 1504165.cif |
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Original paper (by DOI) | HTML |
Formula | C24 N2 O2 |
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Calculated formula | C24 N2 O2 |
SMILES | c1(c(cc2c3c1ccc1cccc(cc2)c31)/C=N/N=C(O)/c1ccccc1)O |
Title of publication | Cu2±selective ratiometric and "off-on" sensor based on the rhodamine derivative bearing pyrene group. |
Authors of publication | Zhou, Ying; Wang, Fang; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 19 |
Pages of publication | 4442 - 4445 |
a | 9.668 ± 0.0019 Å |
b | 9.511 ± 0.0019 Å |
c | 19.728 ± 0.004 Å |
α | 90° |
β | 90.66 ± 0.03° |
γ | 90° |
Cell volume | 1813.9 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.2434 |
Residual factor for significantly intense reflections | 0.1477 |
Weighted residual factors for significantly intense reflections | 0.3701 |
Weighted residual factors for all reflections included in the refinement | 0.4226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
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. |
1504165.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504165.cif |
39426 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504165 via cif-deposit CGI script. |
1504165.cif |
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Users of the data should acknowledge the original authors of the
structural data.