Crystallography Open Database

Information card for entry 4133447

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Coordinates	4133447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H53 N3 O3
Calculated formula	C39 H53 N3 O3
Title of publication	Control on Dimensions and Supramolecular Chirality of Self-Assemblies through Light and Metal Ions.
Authors of publication	Liu, Guofeng; Sheng, Jianhui; Teo, Wei Liang; Yang, Guangbao; Wu, Hongwei; Li, Yongxin; Zhao, Yanli
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	47
Pages of publication	16275 - 16283
a	6.3235 ± 0.0001 Å
b	8.7307 ± 0.0002 Å
c	16.0117 ± 0.0003 Å
α	92.4545 ± 0.0011°
β	91.3114 ± 0.0011°
γ	107.094 ± 0.001°
Cell volume	843.57 ± 0.03 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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