Crystallography Open Database

Information card for entry 7125634

Preview

Coordinates	7125634.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	H4-1
Formula	C81 H118 N2 O10
Calculated formula	C81 H118 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	12.0829 ± 0.0002 Å
b	14.8643 ± 0.0003 Å
c	21.7404 ± 0.0015 Å
α	89.974 ± 0.006°
β	89.321 ± 0.006°
γ	75.472 ± 0.007°
Cell volume	3779.5 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.136
Residual factor for significantly intense reflections	0.0831
Weighted residual factors for significantly intense reflections	0.2333
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	1.54187 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.	7125634.cif
244817	2019-11-30	cif/ Adding structures of 7125634, 7125635, 7125636, 7125637 via cif-deposit CGI script.	7125634.cif