Crystallography Open Database

Information card for entry 1557387

Preview

Coordinates	1557387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N2 O6 Zn
Calculated formula	C28 H20 N2 O6 Zn
Title of publication	Disappeared supramolecular isomer reappears with perylene guest
Authors of publication	Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.
Journal of publication	IUCrJ
Year of publication	2020
Journal volume	7
Journal issue	2
Pages of publication	324 - 330
a	14.2399 ± 0.0005 Å
b	7.5126 ± 0.0003 Å
c	14.7479 ± 0.0005 Å
α	90°
β	101.619 ± 0.0019°
γ	90°
Cell volume	1545.38 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
249078 (current)	2020-03-05	cif/ Updating files of 1557387, 1557388, 1557389 Original log message: Adding full bibliography for 1557387--1557389.cif.	1557387.cif
248487	2020-02-27	cif/ Adding structures of 1557387, 1557388, 1557389 via cif-deposit CGI script.	1557387.cif