Crystallography Open Database

Information card for entry 7134860

Preview

Coordinates	7134860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H50 N2
Calculated formula	C54 H50 N2
Title of publication	Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.
Authors of publication	Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	70
Pages of publication	13113 - 13116
a	11.0179 ± 0.0001 Å
b	16.7178 ± 0.0002 Å
c	22.0057 ± 0.0003 Å
α	90°
β	95.442 ± 0.001°
γ	90°
Cell volume	4035.07 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.0526
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302401 (current)	2025-10-06	cif/ Updating files of 7134851, 7134852, 7134853, 7134854, 7134855, 7134856, 7134857, 7134858, 7134859, 7134860, 7134861 Original log message: Adding full bibliography for 7134851--7134861.cif.	7134860.cif
301379	2025-07-29	cif/ Adding structures of 7134851, 7134852, 7134853, 7134854, 7134855, 7134856, 7134857, 7134858, 7134859, 7134860, 7134861 via cif-deposit CGI script.	7134860.cif