Crystallography Open Database

Information card for entry 4029309

Preview

Coordinates	4029309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 N2 O3 S
Calculated formula	C21 H32 N2 O3 S
Title of publication	Natural Tetraponerines: A General Synthesis and Antiproliferative Activity.
Authors of publication	Bosque, Irene; Gonzalez-Gomez, Jose C; Loza, María Isabel; Brea, José
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	9
Pages of publication	3982 - 3991
a	9.0021 ± 0.001 Å
b	14.9816 ± 0.0018 Å
c	16.5464 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2231.5 ± 0.4 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 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	0.0488
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178472 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/93.	4029309.cif
112782	2014-05-04	cif/ Updating files of 4029309 Original log message: Adding full bibliography for 4029309.cif.	4029309.cif
109481	2014-04-15	cif/ Adding structures of 4029309 via cif-deposit CGI script.	4029309.cif