Crystallography Open Database

Information card for entry 1518653

Preview

Coordinates	1518653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N2 O7
Calculated formula	C32 H36 N2 O7
SMILES	OC1=C([C@@H]2[C@H](CC(=O)[C@@]34[C@H]([C@@H](NC4=O)Cc4c5c([nH]c4)cccc5)[C@@H]([C@]4(O[C@H]4[C@@H]3C=CC[C@@H]2C)C)C)C1=O)C.O.O
Title of publication	Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.
Authors of publication	Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	644 - 647
a	13.4499 ± 0.0006 Å
b	7.46 ± 0.0004 Å
c	14.9726 ± 0.0007 Å
α	90°
β	104.948 ± 0.002°
γ	90°
Cell volume	1451.46 ± 0.12 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	0.1064
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.2412
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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.	1518653.cif
133005	2015-03-04	cif/ Updating files of 1518652, 1518653 Original log message: Adding full bibliography for 1518652--1518653.cif.	1518653.cif
130876	2015-02-04	cif/ Adding structures of 1518653 via cif-deposit CGI script.	1518653.cif