Crystallography Open Database

Information card for entry 4135209

Preview

Coordinates	4135209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H78 N4 O10
Calculated formula	C61 H78 N4 O10
Title of publication	Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.
Authors of publication	Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	11.6082 ± 0.0004 Å
b	12.8385 ± 0.0004 Å
c	21.5239 ± 0.0007 Å
α	75.264 ± 0.001°
β	81.793 ± 0.001°
γ	65.578 ± 0.001°
Cell volume	2822.09 ± 0.16 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0765
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1781
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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