Crystallography Open Database

Information card for entry 7218319

Preview

Coordinates	7218319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 N11 O15 Tb
Calculated formula	C16 H38 N11 O15 Tb
Title of publication	The first example of model compound of RNase U2 and its intermediate with CPP directly monitored by ESI-MS
Authors of publication	Ma, Xiaoyan; Yin, Yuxin; Geng, Zhirong; Yang, Zhen; Wen, Jinghan; Wang, Zhilin
Journal of publication	RSC Adv.
Year of publication	2014
a	10.2941 ± 0.0013 Å
b	10.4764 ± 0.0012 Å
c	16.0463 ± 0.0019 Å
α	92.08 ± 0.002°
β	99.208 ± 0.003°
γ	116.368 ± 0.002°
Cell volume	1519.2 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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
180514 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/83.	7218319.cif
124506	2014-10-03	cif/ Adding structures of 7218318, 7218319 via cif-deposit CGI script.	7218319.cif