Crystallography Open Database

Information card for entry 1512561

Preview

Coordinates	1512561.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	aniduquinolone a
Formula	C27 H33 N O6
Calculated formula	C27 H33 N O6
SMILES	CO[C@@H]1C(=O)Nc2c([C@@]1(O)c1ccccc1)c(O)c(cc2)/C=C/[C@@]1(C)CC[C@@H](O1)C(=C)C.CO
Title of publication	4-Phenyl-3,4-dihydroquinolone Derivatives from Aspergillus nidulans MA-143, an Endophytic Fungus Isolated from the Mangrove Plant Rhizophora stylosa.
Authors of publication	An, Chun-Yan; Li, Xiao-Ming; Luo, Han; Li, Chun-Shun; Wang, Ming-Hui; Xu, Gang-Ming; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	10
Pages of publication	1896 - 1901
a	8.3638 ± 0.0008 Å
b	13.8405 ± 0.0012 Å
c	11.1316 ± 0.0011 Å
α	90°
β	94.755 ± 0.001°
γ	90°
Cell volume	1284.1 ± 0.2 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	0.0764
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512561.cif
89700	2013-11-10	cif/ Adding structures of 1512561 via cif-deposit CGI script.	1512561.cif