Crystallography Open Database

Information card for entry 7125636

Preview

Coordinates	7125636.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	H5-1
Formula	C91 H131.01 N2 O10
Calculated formula	C91.67 H125.044 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	12.1416 ± 0.0003 Å
b	18.0125 ± 0.0006 Å
c	21.0862 ± 0.0009 Å
α	71.058 ± 0.004°
β	84.427 ± 0.003°
γ	84.478 ± 0.002°
Cell volume	4331 ± 0.3 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	0.1589
Residual factor for significantly intense reflections	0.1334
Weighted residual factors for significantly intense reflections	0.3915
Weighted residual factors for all reflections included in the refinement	0.4254
Goodness-of-fit parameter for all reflections included in the refinement	1.668
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7125636.cif
244817	2019-11-30	cif/ Adding structures of 7125634, 7125635, 7125636, 7125637 via cif-deposit CGI script.	7125636.cif