Crystallography Open Database

Information card for entry 4133455

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Coordinates	4133455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 N3 O10
Calculated formula	C66 H82 N3 O10
Title of publication	Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.
Authors of publication	Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	44
Pages of publication	15070 - 15079
a	12.4803 ± 0.0008 Å
b	13.1925 ± 0.0009 Å
c	22.0752 ± 0.0012 Å
α	97.674 ± 0.005°
β	99.394 ± 0.005°
γ	113.819 ± 0.006°
Cell volume	3199.3 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1462
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2591
Weighted residual factors for all reflections included in the refinement	0.3215
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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