Crystallography Open Database

Information card for entry 1557394

Preview

Coordinates	1557394.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one
Formula	C16 H14 O2
Calculated formula	C16 H14 O2
SMILES	O=C1OCC[C@H]1c1ccc(cc1)c1ccccc1
Title of publication	Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes
Authors of publication	Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	3146 - 3151
a	6.2309 ± 0.0007 Å
b	7.4169 ± 0.0008 Å
c	13.0054 ± 0.0015 Å
α	90°
β	90.1686 ± 0.0018°
γ	90°
Cell volume	601.03 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1
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
257410 (current)	2020-10-06	cif/ Updating files of 1557394 Original log message: Adding full bibliography for 1557394.cif.	1557394.cif
250254	2020-04-05	cif/ Updating files of 1557394 Original log message: Adding full bibliography for 1557394.cif.	1557394.cif
248515	2020-02-28	cif/ Adding structures of 1557394 via cif-deposit CGI script.	1557394.cif