Crystallography Open Database

Information card for entry 7125703

Preview

Coordinates	7125703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 O4
Calculated formula	C22 H22 N2 O4
Title of publication	Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.
Authors of publication	Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	6
Pages of publication	960 - 963
a	13.7113 ± 0.0009 Å
b	9.7397 ± 0.0005 Å
c	14.7226 ± 0.0008 Å
α	90°
β	102.505 ± 0.006°
γ	90°
Cell volume	1919.5 ± 0.2 Å³
Cell temperature	293.1 ± 0.2 K
Ambient diffraction temperature	293.1 ± 0.2 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	0.1199
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
247601 (current)	2020-02-04	cif/ Updating files of 7125703, 7125704, 7125705, 7125706, 7125707 Original log message: Adding full bibliography for 7125703--7125707.cif.	7125703.cif
246352	2020-01-01	cif/ Adding structures of 7125703, 7125704, 7125705, 7125706, 7125707 via cif-deposit CGI script.	7125703.cif