Crystallography Open Database

Information card for entry 4120614

4120613 << 4120614 >> 4120615

Preview

Coordinates	4120614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 N O2.08
Calculated formula	C30 H37 N O2.08
Title of publication	Concise Enantiospecific Total Synthesis of Tubingensin A.
Authors of publication	Goetz, Adam E.; Silberstein, Amanda L.; Corsello, Michael A.; Garg, Neil K.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	3036
a	8.7034 ± 0.0011 Å
b	9.0617 ± 0.0012 Å
c	16.353 ± 0.002 Å
α	102.348 ± 0.0016°
β	97.179 ± 0.0016°
γ	102.277 ± 0.0016°
Cell volume	1211.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120614.cif
106626	2014-03-15	cif/ Adding structures of 4120614 via cif-deposit CGI script.	4120614.cif