Crystallography Open Database

Information card for entry 4110851

Preview

Coordinates	4110851.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sins0103a
Formula	C24 H26 Br N O7
Calculated formula	C24 H26 Br N O7
SMILES	Brc1c(O)c(NC(=O)CC[C@@]2(C(=O)C=C[C@]34[C@H]2[C@H]2O[C@]([C@H](C2)C3)(C4)C)C)c(O)c(C(=O)O)c1
Title of publication	Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A Broad Spectrum Antibiotic Discovered Using an Antisense Differential Sensitivity Strategy
Authors of publication	Sheo B. Singh; Hiranthi Jayasuriya; John G. Ondeyka; Kithsiri B. Herath; Chaowei Zhang; Deborah L. Zink; Nancy N. Tsou; Richard G. Ball; Angela Basilio; Olga Genilloud; Maria Teresa Diez; Francisca Vicente; Fernando Pelaez; Katherine Young; Jun Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	11916 - 11920
a	10.176 ± 0.004 Å
b	11.376 ± 0.005 Å
c	19.084 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2209.2 ± 1.6 Å³
Ambient diffraction temperature	100 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 significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178879 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08.	4110851.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110851.cif
59703	2012-06-13	cif/ Adding structures of 4110851 via cif-deposit CGI script.	4110851.cif