Crystallography Open Database

Information card for entry 1568174

Preview

Coordinates	1568174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H56 O22 P2
Calculated formula	C70 H56 O22 P2
Title of publication	A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.
Authors of publication	Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan
Journal of publication	Soft matter
Year of publication	2023
Journal volume	19
Journal issue	3
Pages of publication	430 - 435
a	13.6884 ± 0.0007 Å
b	17.0653 ± 0.001 Å
c	28.5141 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6660.8 ± 0.6 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
281618 (current)	2023-03-04	cif/ Updating files of 1568174 Original log message: Adding full bibliography for 1568174.cif.	1568174.cif
280003	2022-12-22	cif/ Adding structures of 1568174 via cif-deposit CGI script.	1568174.cif