Crystallography Open Database

Information card for entry 4037193

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Coordinates	4037193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H75 N2 O6
Calculated formula	C60 H75 N2 O6
Title of publication	An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.
Authors of publication	Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	22
Pages of publication	10683 - 10687
a	20.0572 ± 0.0001 Å
b	20.0572 ± 0.0001 Å
c	26.9244 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	9380.31 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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