Crystallography Open Database

Information card for entry 1529398

Preview

Coordinates	1529398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 N O6
Calculated formula	C25 H23 N O6
SMILES	O(C)c1cc2C(C3(C(=O)c4cc(OC)cc(C)c4C(=C3C(=O)c2c(OC)c1)O)C#N)(C)C
Title of publication	Studies on Antibiotics Active against Resistant Bacteria. Total Synthesis of MRSA-Active Tetarimycin A and Its Analogues.
Authors of publication	Huang, Jing-Kai; Yang Lauderdale, Tsai-Ling; Shia, Kak-Shan
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	17
Pages of publication	4248 - 4251
a	31.5153 ± 0.0016 Å
b	8.7548 ± 0.0005 Å
c	18.0436 ± 0.001 Å
α	90°
β	123.435 ± 0.001°
γ	90°
Cell volume	4154.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
154790 (current)	2015-09-06	cif/ Updating files of 1529398 Original log message: Adding full bibliography for 1529398.cif.	1529398.cif
153448	2015-08-15	cif/ Adding structures of 1529398 via cif-deposit CGI script.	1529398.cif