Crystallography Open Database

Information card for entry 1554280

Preview

Coordinates	1554280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2 O2
Calculated formula	C20 H14 N2 O2
Title of publication	Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives
Authors of publication	Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	10
Pages of publication	1679
a	16.9028 ± 0.0008 Å
b	16.5253 ± 0.0007 Å
c	9.9901 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2790.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.597
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
237093 (current)	2019-11-24	cif/ Adding structures of 1554280, 1554281, 1554282, 1554283, 1554284 via cif-deposit CGI script.	1554280.cif