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Information card for entry 1570878
Preview
Coordinates | 1570878.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H38 O |
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Calculated formula | C37 H38 O |
Title of publication | Controllable π-π coupling of intramolecular dimer models in aggregated states. |
Authors of publication | Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 12 |
Pages of publication | 4364 - 4373 |
a | 13.254 ± 0.003 Å |
b | 11.559 ± 0.0016 Å |
c | 38.103 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5837.5 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 3 |
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 | 0.0975 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0934 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
290864 (current) | 2024-04-05 | cif/ Updating files of 1570870, 1570871, 1570872, 1570873, 1570874, 1570875, 1570876, 1570877, 1570878, 1570879, 1570880, 1570881, 1570882, 1570883, 1570884, 1570885, 1570886, 1570887, 1570888, 1570889, 1570890, 1570891 Original log message: Adding full bibliography for 1570870--1570891.cif. |
1570878.cif |
289291 | 2024-02-03 | cif/ Adding structures of 1570870, 1570871, 1570872, 1570873, 1570874, 1570875, 1570876, 1570877, 1570878, 1570879, 1570880, 1570881, 1570882, 1570883, 1570884, 1570885, 1570886, 1570887, 1570888, 1570889, 1570890, 1570891 via cif-deposit CGI script. |
1570878.cif |
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Users of the data should acknowledge the original authors of the
structural data.