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Information card for entry 1502052
Preview
Coordinates | 1502052.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 N O6 |
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Calculated formula | C23 H20 N O6 |
SMILES | c1(=O)c(cc2cc3CCCN4CCCc(c34)c2o1)C=C(C(=O)OCC)C(=O)OCC |
Title of publication | Coumarin-based thiol chemosensor: synthesis, turn-on mechanism, and its biological application. |
Authors of publication | Jung, Hyo Sung; Ko, Kyoung Chul; Kim, Gun-Hee; Lee, Ah-Rah; Na, Yun-Cheol; Kang, Chulhun; Lee, Jin Yong; Kim, Jong Seung |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 6 |
Pages of publication | 1498 - 1501 |
a | 17.248 ± 0.005 Å |
b | 8.517 ± 0.003 Å |
c | 13.924 ± 0.004 Å |
α | 90° |
β | 101.35 ± 0.006° |
γ | 90° |
Cell volume | 2005.5 ± 1.1 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 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 | 0.1554 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for significantly intense reflections | 0.1658 |
Weighted residual factors for all reflections included in the refinement | 0.1899 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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