Crystallography Open Database

Information card for entry 7156117

Preview

Coordinates	7156117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H56 N4 O12
Calculated formula	C55 H56 N4 O12
Title of publication	Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.
Authors of publication	Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	12
Pages of publication	2028 - 2032
a	21.1 ± 0.0011 Å
b	23.1109 ± 0.0012 Å
c	23.201 ± 0.0012 Å
α	90°
β	112.784 ± 0.002°
γ	90°
Cell volume	10430.9 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
230879 (current)	2019-11-17	cif/ Updating files of 7156117, 7156118, 7156119, 7156120, 7156121, 7156122 Original log message: Adding full bibliography for 7156117--7156122.cif.	7156117.cif
206358	2018-02-10	cif/ Adding structures of 7156117, 7156118, 7156119, 7156120, 7156121, 7156122 via cif-deposit CGI script.	7156117.cif