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Information card for entry 7243909
Preview
Coordinates | 7243909.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H29 N O2 |
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Calculated formula | C31 H29 N O2 |
Title of publication | Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction |
Authors of publication | Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
Journal volume | 24 |
Journal issue | 2 |
Pages of publication | 231 - 234 |
a | 16.7706 ± 0.0005 Å |
b | 9.876 ± 0.0003 Å |
c | 30.6219 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5071.8 ± 0.3 Å3 |
Cell temperature | 165 K |
Ambient diffraction temperature | 165 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.099 |
Residual factor for significantly intense reflections | 0.0796 |
Weighted residual factors for significantly intense reflections | 0.188 |
Weighted residual factors for all reflections included in the refinement | 0.1986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272622 (current) | 2022-02-04 | cif/ Updating files of 7243909, 7243910, 7243911, 7243912, 7243913, 7243914, 7243915, 7243916, 7243917, 7243918 Original log message: Adding full bibliography for 7243909--7243918.cif. |
7243909.cif |
270636 | 2021-11-14 | cif/ Adding structures of 7243909, 7243910, 7243911, 7243912, 7243913, 7243914, 7243915, 7243916, 7243917, 7243918 via cif-deposit CGI script. |
7243909.cif |
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Users of the data should acknowledge the original authors of the
structural data.