Crystallography Open Database

Information card for entry 1576813

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Coordinates	1576813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 F N
Calculated formula	C21 H15 F N
Title of publication	Color-Tunable Hot-Exciton Organic Glassy Supramolecular Scintillators Enabled by Host-Guest Co-Melting
Authors of publication	Ye, Yuan-Ji; Wei, Xiang-Long; Yang, Xi; Chen, Yu-Dong; Weng, Mingcen; Chen, Hong-Ming; Lin, Mei-Jin
Journal of publication	Chemical Science
Year of publication	2026
a	10.0731 ± 0.0004 Å
b	12.6282 ± 0.0006 Å
c	12.997 ± 0.0006 Å
α	100.54 ± 0.004°
β	105.121 ± 0.004°
γ	91.458 ± 0.004°
Cell volume	1564.45 ± 0.13 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0905
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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

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