Crystallography Open Database

Information card for entry 1573399

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Coordinates	1573399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H66 N16 O8
Calculated formula	C80 H66 N16 O8
Title of publication	Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: A multifunctional fluorescent platform
Authors of publication	Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Jun-Hua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hong-Yu
Journal of publication	Chemical Science
Year of publication	2024
a	11.1096 ± 0.0007 Å
b	11.2145 ± 0.0006 Å
c	15.2337 ± 0.0009 Å
α	68.402 ± 0.003°
β	79.501 ± 0.004°
γ	69.937 ± 0.003°
Cell volume	1654.2 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0757
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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