Crystallography Open Database

Information card for entry 7154436

Preview

Coordinates	7154436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N O2
Calculated formula	C17 H17 N O2
SMILES	O(CC)c1oc(c2nc3c(cccc3cc2)C)c(c1)C
Title of publication	Gold-catalyzed α-furanylations of quinoline N-oxides with alkenyldiazo carbonyl species.
Authors of publication	Pagar, Vinayak Vishnu; Liu, Rai-Shung
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	22
Pages of publication	6166 - 6169
a	7.8554 ± 0.0007 Å
b	19.1071 ± 0.0017 Å
c	9.8166 ± 0.0009 Å
α	90°
β	112.458 ± 0.002°
γ	90°
Cell volume	1361.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
138822 (current)	2015-06-07	cif/ Updating files of 7154436 Original log message: Adding full bibliography for 7154436.cif.	7154436.cif
135981	2015-05-09	cif/ Adding structures of 7154436 via cif-deposit CGI script.	7154436.cif