Crystallography Open Database

Information card for entry 4134723

Preview

Coordinates	4134723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl2 N O7
Calculated formula	C17 H27 Cl2 N O7
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	9.3693 ± 0.0002 Å
b	9.1331 ± 0.0002 Å
c	12.3504 ± 0.0002 Å
α	90°
β	107.386 ± 0.002°
γ	90°
Cell volume	1008.55 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
251465 (current)	2020-05-04	cif/ Updating files of 4134723, 4134724, 4134725, 4134726, 4134727 Original log message: Adding full bibliography for 4134723--4134727.cif.	4134723.cif
250797	2020-04-16	cif/ Adding structures of 4134723 via cif-deposit CGI script.	4134723.cif