Crystallography Open Database

Information card for entry 4103319

Preview

Coordinates	4103319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 N6 O7 S7.77
Calculated formula	C33 H34 N6 O7 S7.771
Title of publication	General Approach to Epipolythiodiketopiperazine Alkaloids: Total Synthesis of (+)-Chaetocins A and C and (+)-12,12'-Dideoxychetracin A
Authors of publication	Justin Kim; Mohammad Movassaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14376 - 14378
a	7.7828 ± 0.0001 Å
b	19.4165 ± 0.0004 Å
c	24.7658 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3742.48 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0612
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178779 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/33.	4103319.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103319.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103319.cif
26300	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103319 via cif-deposit CGI script.	4103319.cif