Crystallography Open Database

Information card for entry 4033022

Preview

Coordinates	4033022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O4
Calculated formula	C24 H27 N O4
SMILES	O=C1N[C@H](C(=O)C\1=C(\O)[C@H]1[C@H]2[C@@H](CC(=CC2)C)C=C[C@H]1C)Cc1ccc(O)cc1.O=C1N[C@@H](C(=O)C\1=C(\O)[C@@H]1[C@@H]2[C@H](CC(=CC2)C)C=C[C@@H]1C)Cc1ccc(O)cc1
Title of publication	Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).
Authors of publication	Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	21
Pages of publication	11474 - 11486
a	10.838 ± 0.0002 Å
b	10.16461 ± 0.00019 Å
c	19.4057 ± 0.0004 Å
α	90°
β	105.682 ± 0.002°
γ	90°
Cell volume	2058.23 ± 0.07 Å³
Cell temperature	102.8 K
Ambient diffraction temperature	102.8 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202745 (current)	2017-11-07	cif/ Updating files of 4033021, 4033022 Original log message: Adding full bibliography for 4033021--4033022.cif.	4033022.cif
202311	2017-10-26	cif/ Adding structures of 4033021, 4033022 via cif-deposit CGI script.	4033022.cif