Crystallography Open Database

Information card for entry 1550178

Preview

Coordinates	1550178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl2 N2 Ru
Calculated formula	C20 H24 Cl2 N2 Ru
SMILES	[Ru]1234(Cl)([NH](CC[NH]3C)C)([CH]3c5c(cccc5)[CH]2=[CH]1c1c(cccc1)[CH]4=3)Cl
Title of publication	Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters
Authors of publication	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi
Journal of publication	Chemical Science
Year of publication	2019
a	8.2597 ± 0.0003 Å
b	10.958 ± 0.0005 Å
c	12.6335 ± 0.0006 Å
α	66.777 ± 0.005°
β	75.242 ± 0.004°
γ	70.583 ± 0.004°
Cell volume	980.91 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211770 (current)	2018-11-03	cif/ Adding structures of 1550178, 1550179, 1550180, 1550181, 1550182 via cif-deposit CGI script.	1550178.cif