Crystallography Open Database

Information card for entry 1572337

Preview

Coordinates	1572337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O2
Calculated formula	C28 H22 N2 O2
SMILES	O(C)C(=O)c1ccc(cc1)c1c(cccc1/C=N/c1ccccc1)/C=N/c1ccccc1
Title of publication	Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.
Authors of publication	Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	35
Pages of publication	14449 - 14457
a	9.9945 ± 0.0016 Å
b	10.1084 ± 0.0012 Å
c	11.4916 ± 0.0015 Å
α	82.539 ± 0.01°
β	73.454 ± 0.011°
γ	76.36 ± 0.011°
Cell volume	1079.1 ± 0.3 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 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	0.1826
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.2769
Weighted residual factors for all reflections included in the refinement	0.3287
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation probe	x-ray
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
295199 (current)	2024-10-06	cif/ Updating files of 1572336, 1572337 Original log message: Adding full bibliography for 1572336--1572337.cif.	1572337.cif
294100	2024-08-14	cif/ Adding structures of 1572336, 1572337 via cif-deposit CGI script.	1572337.cif