Crystallography Open Database

Information card for entry 7135716

Preview

Coordinates	7135716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 B3 Cl6 N4 O9
Calculated formula	C34 H22 B3 Cl6 N4 O9
Title of publication	Competitive supramolecular assembly tunes anthracene emission over 165 nm <i>via</i> controlled π-overlap.
Authors of publication	Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	34
Pages of publication	8743 - 8747
a	15.12783 ± 0.00019 Å
b	19.4966 ± 0.0003 Å
c	25.6114 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7553.86 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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