Crystallography Open Database

Information card for entry 1570376

Preview

Coordinates	1570376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O3
Calculated formula	C26 H24 O3
SMILES	O=C1C(=C[C@](c2c1cccc2)(CC#Cc1ccccc1)C/C=C/C)C(=O)OCC
Title of publication	Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.
Authors of publication	Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	47
Pages of publication	13979 - 13985
a	7.9089 ± 0.0002 Å
b	15.0721 ± 0.0003 Å
c	17.4446 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2079.46 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0341
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288748 (current)	2024-01-06	cif/ Updating files of 1570376, 1570377 Original log message: Adding full bibliography for 1570376--1570377.cif.	1570376.cif
287818	2023-11-28	cif/ Adding structures of 1570376, 1570377 via cif-deposit CGI script.	1570376.cif