Crystallography Open Database

Information card for entry 1554908

Preview

Coordinates	1554908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O
Calculated formula	C24 H19 N O
SMILES	N1=C2c3ccccc3OCC2(/C=C/c2ccccc2)Cc2c1cccc2
Title of publication	Synthesis of chromeno[4,3-b]quinolines and spirobenzofuran-3,3′-quinolines through silver-mediated Appel reaction/C‒Br bond cleavage/double selective rearrangement sequence
Authors of publication	Zhao, Hong-Ping; Ma, Xiao-Pan; Nie, Shu-Min; Xiao, Yuhong; Mo, Dong-Liang
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	14
Pages of publication	2334
a	10.273 ± 0.004 Å
b	10.178 ± 0.004 Å
c	16.954 ± 0.007 Å
α	90°
β	99.61 ± 0.006°
γ	90°
Cell volume	1747.8 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0504
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
238198 (current)	2019-11-24	cif/ Adding structures of 1554908 via cif-deposit CGI script.	1554908.cif