Crystallography Open Database

Information card for entry 8000565

Preview

Coordinates	8000565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 N O
Calculated formula	C24 H35 N O
SMILES	O=C(c1cc2c(cc1)cc(N(C)C)cc2)CCCCCCCCCCC
Title of publication	Pressure-Induced Local Excitation Promotion: New Route toward High-Efficiency Aggregate Emission Based on Multimer Excited State Modulation.
Authors of publication	Hu, Shuhe; Yao, Zhen; Ma, Xuan; Yue, Lei; Chen, Luyao; Liu, Ran; Wang, Peng; Li, Haiyan; Zhang, Shi-Tong; Yao, Dong; Cui, Tian; Zou, Bo; Zou, Guangtian
Journal of publication	The journal of physical chemistry letters
Year of publication	2022
Pages of publication	1290 - 1299
a	6.6196 ± 0.0002 Å
b	12.2116 ± 0.0003 Å
c	12.732 ± 0.0003 Å
α	90°
β	90.157 ± 0.002°
γ	90°
Cell volume	1029.2 ± 0.05 Å³
Cell temperature	105 ± 4 K
Ambient diffraction temperature	105 ± 4 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272542 (current)	2022-02-04	cif/ Adding structures of 8000565 via cif-deposit CGI script.	8000565.cif