Crystallography Open Database

Information card for entry 1559411

Preview

Coordinates	1559411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N4 O5.5
Calculated formula	C32 H26 N4 O5.5
Title of publication	Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
Authors of publication	Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
Journal of publication	Journal of Medicinal Chemistry
Year of publication	2020
a	10.6126 ± 0.0003 Å
b	11.4102 ± 0.0004 Å
c	13.3071 ± 0.0005 Å
α	95.819 ± 0.003°
β	112.387 ± 0.003°
γ	111.273 ± 0.003°
Cell volume	1333.67 ± 0.1 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258605 (current)	2020-10-27	cif/ Adding structures of 1559411 via cif-deposit CGI script.	1559411.cif