Crystallography Open Database

Information card for entry 7229766

Preview

Coordinates	7229766.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	quinoline-8-ol
Chemical name	8-hydroxyquinoline
Formula	C9 H7 N O
Calculated formula	C9 H7 N O
SMILES	Oc1cccc2cccnc12
Title of publication	Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline
Authors of publication	Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	5
Pages of publication	652
a	24.934 ± 0.0004 Å
b	28.5658 ± 0.0004 Å
c	3.7778 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2690.77 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
228956 (current)	2019-11-17	cif/ Updating files of 7229766, 7229767 Original log message: Adding full bibliography for 7229766--7229767.cif.	7229766.cif
204502	2017-12-23	cif/ Adding structures of 7229766, 7229767 via cif-deposit CGI script.	7229766.cif