Crystallography Open Database

Information card for entry 7237826

Preview

Coordinates	7237826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 N O
Calculated formula	C34 H33 N O
Title of publication	Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism
Authors of publication	Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	23
Pages of publication	6932
a	10.6101 ± 0.0009 Å
b	22.3235 ± 0.0015 Å
c	11.4058 ± 0.0008 Å
α	90°
β	98.578 ± 0.002°
γ	90°
Cell volume	2671.3 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.1197
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238645 (current)	2019-11-24	cif/ Adding structures of 7237826, 7237827 via cif-deposit CGI script.	7237826.cif