Crystallography Open Database

Information card for entry 1511947

1511946 << 1511947 >> 1511948

Preview

Coordinates	1511947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 N3 O5
Calculated formula	C27 H33 N3 O5
SMILES	n1(O)c2c3C=CC(Oc3ccc2c2C[C@@]34NC(=O)[C@@]5(N(C3=O)CCC5)C[C@@H]4C(c12)(C)C)(C)C.OC
Title of publication	Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis
Authors of publication	Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	9
Pages of publication	2168
a	9.1499 ± 0.0008 Å
b	14.4705 ± 0.0013 Å
c	18.7607 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2484 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0614
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
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.	1511947.cif
85834	2013-05-07	cif/ Adding structures of 1511947 via cif-deposit CGI script.	1511947.cif