Crystallography Open Database

Information card for entry 4134724

Preview

Coordinates	4134724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 Cl2 N O7.5
Calculated formula	C17 H26 Cl2 N O7.5
Title of publication	Stereocontrolled Synthesis of (-)-Bactobolin A.
Authors of publication	Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7306 - 7311
a	31.4309 ± 0.0009 Å
b	12.0536 ± 0.0003 Å
c	25.2006 ± 0.0008 Å
α	90°
β	118.833 ± 0.004°
γ	90°
Cell volume	8363.8 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251465 (current)	2020-05-04	cif/ Updating files of 4134723, 4134724, 4134725, 4134726, 4134727 Original log message: Adding full bibliography for 4134723--4134727.cif.	4134724.cif
250798	2020-04-16	cif/ Adding structures of 4134724 via cif-deposit CGI script.	4134724.cif