Crystallography Open Database

Information card for entry 7125637

Preview

Coordinates	7125637.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	H7-1
Formula	C111 H174 N2 O10
Calculated formula	C111 H174 N2 O10
Title of publication	Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.
Authors of publication	Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	1
Pages of publication	161 - 164
a	12.9813 ± 0.0005 Å
b	20.477 ± 0.0008 Å
c	22.1377 ± 0.0009 Å
α	67.441 ± 0.004°
β	75.269 ± 0.004°
γ	83.834 ± 0.003°
Cell volume	5255.4 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1254
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2319
Weighted residual factors for all reflections included in the refinement	0.2612
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
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
247567 (current)	2020-02-04	cif/ Updating files of 7125634, 7125635, 7125636, 7125637 Original log message: Adding full bibliography for 7125634--7125637.cif.	7125637.cif
244817	2019-11-30	cif/ Adding structures of 7125634, 7125635, 7125636, 7125637 via cif-deposit CGI script.	7125637.cif