Crystallography Open Database

Information card for entry 1573306

Preview

Coordinates	1573306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 N2 O0.5
Calculated formula	C36 H31 N2 O0.5
Title of publication	Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals.
Authors of publication	Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui
Journal of publication	Materials horizons
Year of publication	2025
Journal volume	12
Journal issue	5
Pages of publication	1524 - 1531
a	21.6586 ± 0.0011 Å
b	12.8689 ± 0.0005 Å
c	9.8744 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2752.22 ± 0.19 Å³
Cell temperature	169.99 ± 0.12 K
Ambient diffraction temperature	169.99 ± 0.12 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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