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Information card for entry 1514332
Preview
Coordinates | 1514332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 N3 O2 |
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Calculated formula | C24 H25 N3 O2 |
SMILES | n1(c2ccc(/C=C/C3=C/C(=C(C(=O)OCC)\C#N)CC(C3)(C)C)cc2)cncc1 |
Title of publication | Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives |
Authors of publication | Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2014 |
Journal volume | 118 |
Journal issue | 16 |
Pages of publication | 8531 |
a | 7.516 ± 0.005 Å |
b | 8.738 ± 0.005 Å |
c | 16.992 ± 0.005 Å |
α | 98.617 ± 0.005° |
β | 97.284 ± 0.005° |
γ | 97.346 ± 0.005° |
Cell volume | 1082.1 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0894 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1766 |
Weighted residual factors for all reflections included in the refinement | 0.2021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1514332.cif |
112784 | 2014-05-04 | cif/ Updating files of 1514330, 1514331, 1514332, 1514333 Original log message: Adding full bibliography for 1514330--1514333.cif. |
1514332.cif |
109426 | 2014-04-12 | cif/ Adding structures of 1514332 via cif-deposit CGI script. |
1514332.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.