Crystallography Open Database

Information card for entry 7135719

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Coordinates	7135719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 B2 Cl6 N4 O8
Calculated formula	C42 H30 B2 Cl6 N4 O8
Title of publication	Competitive supramolecular assembly tunes anthracene emission over 165 nm via controlled π-overlap
Authors of publication	Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa
Journal of publication	Chemical Communications
Year of publication	2026
a	13.4057 ± 0.0003 Å
b	15.8559 ± 0.0002 Å
c	20.9632 ± 0.0004 Å
α	99.4547 ± 0.0013°
β	99.878 ± 0.0018°
γ	94.9948 ± 0.0016°
Cell volume	4299.68 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.262
Weighted residual factors for all reflections included in the refinement	0.2749
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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