Crystallography Open Database

Information card for entry 4135210

Preview

Coordinates	4135210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 N2 O10
Calculated formula	C56 H68 N2 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	12.6366 ± 0.0004 Å
b	15.8733 ± 0.0006 Å
c	16.1976 ± 0.0006 Å
α	66.788 ± 0.001°
β	79.799 ± 0.001°
γ	71.514 ± 0.001°
Cell volume	2826.85 ± 0.18 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	0.0566
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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