Crystallography Open Database

Information card for entry 7158284

Preview

Coordinates	7158284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 F3 O2
Calculated formula	C21 H17 F3 O2
SMILES	c12ccccc1ccc(c2C(=C\CC(F)(F)F)/c1ccc(cc1)OC)O
Title of publication	Palladium-catalyzed <i>ortho</i>-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-<i>b</i>]furans.
Authors of publication	Priyanka, Chiliveru; Subbarao, Muppidi; Punna, Nagender
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	38
Pages of publication	8241 - 8245
a	10.3698 ± 0.0004 Å
b	12.1098 ± 0.0005 Å
c	29.2861 ± 0.0012 Å
α	90°
β	92.224 ± 0.002°
γ	90°
Cell volume	3674.9 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.1083
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
270515 (current)	2021-11-06	cif/ Updating files of 7158284 Original log message: Adding full bibliography for 7158284.cif.	7158284.cif
269041	2021-09-08	cif/ Adding structures of 7158284 via cif-deposit CGI script.	7158284.cif