Crystallography Open Database

Information card for entry 1544464

Preview

Coordinates	1544464.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ysl-518-OBn-natural
Formula	C31 H38 N2 O5
Calculated formula	C31 H38 N2 O5
Title of publication	Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.
Authors of publication	Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	2
Pages of publication	1560 - 1569
a	27.2685 ± 0.0008 Å
b	27.2685 ± 0.0008 Å
c	7.6863 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5715.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193729 (current)	2017-03-05	cif/ Updating files of 1544462, 1544463, 1544464, 1544465 Original log message: Adding full bibliography for 1544462--1544465.cif.	1544464.cif
191522	2017-02-04	cif/ Updating files of 1544462, 1544463, 1544464, 1544465 Original log message: Adding full bibliography for 1544462--1544465.cif.	1544464.cif
187799	2016-11-04	cif/ Adding structures of 1544462, 1544463, 1544464, 1544465 via cif-deposit CGI script.	1544464.cif