Crystallography Open Database

Information card for entry 1571689

Preview

Coordinates	1571689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 F N O2
Calculated formula	C26 H20 F N O2
SMILES	Fc1cc2c(cc1)N1[C@@H](Cc3c(c(oc3C)c3ccccc3)[C@@H]2O1)c1ccccc1
Title of publication	Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.
Authors of publication	Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9361 - 9368
a	7.228 ± 0.002 Å
b	10.686 ± 0.003 Å
c	25.745 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1988.5 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.0303
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
292862 (current)	2024-07-05	cif/ Updating files of 1571688, 1571689, 1571690 Original log message: Adding full bibliography for 1571688--1571690.cif.	1571689.cif
291991	2024-05-23	cif/ Adding structures of 1571688, 1571689, 1571690 via cif-deposit CGI script.	1571689.cif