Crystallography Open Database

Information card for entry 1548903

Preview

Coordinates	1548903.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	EO-469-GIII
Formula	C26 H44 N4 O4
Calculated formula	C26 H44 N4 O4
SMILES	C1(N)=[NH+][C@]2([C@H](CN1)[C@@]1([C@](CC2)(C2=C([C@@H](C1)O)[C@@]1([C@@H](CC2)C(CCC1)(C)C)C)C)C)C.N(=O)(=O)[O-]
Title of publication	Cybastacines A and B: Antibiotic Sesterterpenes from a Nostoc sp. Cyanobacterium
Authors of publication	Cabanillas, Alfredo H.; Tena Pérez, Víctor; Maderuelo Corral, Santiago; Rosero Valencia, Diego Fernando; Martel Quintana, Antera; Ortega Doménech, Montserrat; Rumbero Sánchez, Ángel
Journal of publication	Journal of Natural Products
Year of publication	2018
a	7.5796 ± 0.0003 Å
b	11.3035 ± 0.0005 Å
c	14.7799 ± 0.0007 Å
α	90°
β	92.183 ± 0.002°
γ	90°
Cell volume	1265.36 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
206376 (current)	2018-02-13	cif/ Adding structures of 1548903 via cif-deposit CGI script.	1548903.cif