Crystallography Open Database

Information card for entry 1560073

Preview

Coordinates	1560073.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol
Formula	C18 H18 O3
Calculated formula	C18 H18 O3
SMILES	O(C)c1ccc(/C=C2/[C@](O)(c3ccccc3)COC2)cc1
Title of publication	Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME
Authors of publication	Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu
Journal of publication	Catalysis Science & Technology
Year of publication	2021
Journal volume	11
Journal issue	6
Pages of publication	2306 - 2315
a	5.656 ± 0.0003 Å
b	8.202 ± 0.0004 Å
c	16.2422 ± 0.0009 Å
α	90°
β	92.949 ± 0.002°
γ	90°
Cell volume	752.49 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0893
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1487
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
263613 (current)	2021-04-05	cif/ Updating files of 1560073, 1560074 Original log message: Adding full bibliography for 1560073--1560074.cif.	1560073.cif
260908	2021-01-13	cif/ Adding structures of 1560073, 1560074 via cif-deposit CGI script.	1560073.cif