Crystallography Open Database

Information card for entry 1575863

Preview

Coordinates	1575863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Cl2 N4 O4
Calculated formula	C42 H32 Cl2 N4 O4
Title of publication	Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.
Authors of publication	Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	42
Pages of publication	19967 - 19972
a	16.7306 ± 0.0002 Å
b	8.779 ± 0.0001 Å
c	24.8572 ± 0.0003 Å
α	90°
β	109.06 ± 0.001°
γ	90°
Cell volume	3450.82 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0429
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
303634 (current)	2025-11-29	cif/ Updating files of 1575863, 1575864, 1575865, 1575866, 1575867 Original log message: Adding full bibliography for 1575863--1575867.cif.	1575863.cif
302231	2025-09-24	cif/ Adding structures of 1575863, 1575864, 1575865, 1575866, 1575867 via cif-deposit CGI script.	1575863.cif