Crystallography Open Database

Information card for entry 7240041

Preview

Coordinates	7240041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Asperdione A
Formula	C14 H19 N4 O2.5
Calculated formula	C14 H19 N4 O2.5
Title of publication	Cytotoxic alkaloids from the marine shellfish-associated fungus Aspergillus sp. XBB-4 induced by an amino acid-directed strategy
Authors of publication	Qiu, Yi; Guo, Qi; Ran, Yan-Qin; Lan, Wen-Jian; Lam, Chi-Keung; Feng, Gong-Kan; Deng, Rong; Zhu, Xiao-Feng; Li, Hou-Jin; Chen, Liu-Ping
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	8
Pages of publication	4243 - 4250
a	27.726 ± 0.002 Å
b	14.7975 ± 0.0012 Å
c	7.8558 ± 0.0011 Å
α	90°
β	90.294 ± 0.011°
γ	90°
Cell volume	3223 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1384
Residual factor for significantly intense reflections	0.1196
Weighted residual factors for significantly intense reflections	0.3293
Weighted residual factors for all reflections included in the refinement	0.3607
Goodness-of-fit parameter for all reflections included in the refinement	1.246
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258013 (current)	2020-10-06	cif/ Updating files of 7240041 Original log message: Adding full bibliography for 7240041.cif.	7240041.cif
248787	2020-03-05	cif/ Adding structures of 7240041 via cif-deposit CGI script.	7240041.cif