Crystallography Open Database

Information card for entry 4027650

Preview

Coordinates	4027650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 N6 O7.5
Calculated formula	C29 H44 N6 O7.5
Title of publication	Total Synthesis and Structural Revision of Lucentamycin A
Authors of publication	Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	9859 - 9864
a	13.6137 ± 0.0003 Å
b	13.6137 ± 0.0003 Å
c	30.6199 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4914.58 ± 0.19 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	4
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4027650.cif
81735	2013-04-16	cif/ Adding structures of 4027650 via cif-deposit CGI script.	4027650.cif