Crystallography Open Database

Information card for entry 7154991

Preview

Coordinates	7154991.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol
Formula	C21 H16 O2 S
Calculated formula	C21 H16 O2 S
Title of publication	Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.
Authors of publication	Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	24
Pages of publication	5751 - 5754
a	10.2816 ± 0.0003 Å
b	10.436 ± 0.0003 Å
c	15.0467 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1614.49 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
183758 (current)	2016-06-18	cif/ Updating files of 7154991 Original log message: Adding full bibliography for 7154991.cif.	7154991.cif
176925	2016-02-25	cif/ Adding structures of 7154991 via cif-deposit CGI script.	7154991.cif