Crystallography Open Database

Information card for entry 1517925

Preview

Coordinates	1517925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 N2 O6
Calculated formula	C19 H20 N2 O6
SMILES	O1[C@]23c4c(cccc4N(C2=O)C)C[C@H]2C(N4C(=O)[C@H](O)[C@]1(O)[C@@]4(O)[C@@H]32)(C)C
Title of publication	Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.
Authors of publication	Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	5016 - 5019
a	8.8619 ± 0.0005 Å
b	7.5272 ± 0.0005 Å
c	12.6082 ± 0.0008 Å
α	90°
β	90.851 ± 0.003°
γ	90°
Cell volume	840.94 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0832
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2099
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
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.	1517925.cif
124610	2014-10-06	cif/ Adding structures of 1517925 via cif-deposit CGI script.	1517925.cif