Crystallography Open Database

Information card for entry 1552680

Preview

Coordinates	1552680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N O8
Calculated formula	C24 H29 N O8
SMILES	O1[C@@H]([C@@H](C(=O)c2c(O)c(cc3c2C(=O)C=C(N)C3=O)C)C)[C@@H]([C@@H]2OC(=O)[C@H]([C@H]1[C@@H]2C)C)C.O
Title of publication	Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil.
Authors of publication	da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L.
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	7
Pages of publication	1831 - 1838
a	8.6893 ± 0.0003 Å
b	15.2942 ± 0.0006 Å
c	16.9431 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2251.67 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	4
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	0.1298
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1876
Weighted residual factors for all reflections included in the refinement	0.2318
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
222205 (current)	2019-11-04	cif/ Adding structures of 1552680 via cif-deposit CGI script.	1552680.cif