Crystallography Open Database

Information card for entry 1575656

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Coordinates	1575656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H77 N4 P2
Calculated formula	C57 H77 N4 P2
Title of publication	Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.
Authors of publication	Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	40
Pages of publication	18775 - 18782
a	16.5434 ± 0.0014 Å
b	12.843 ± 0.0011 Å
c	25.526 ± 0.002 Å
α	90°
β	102.619 ± 0.004°
γ	90°
Cell volume	5292.4 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.2766
Weighted residual factors for all reflections included in the refinement	0.2879
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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