Crystallography Open Database

Information card for entry 7237827

Preview

Coordinates	7237827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H43 N
Calculated formula	C37 H43 N
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	12.9754 ± 0.0019 Å
b	36.63 ± 0.005 Å
c	12.4364 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5910.9 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7237827.cif