Crystallography Open Database

Information card for entry 4038722

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Coordinates	4038722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56 N2 O8
Calculated formula	C56 H56 N2 O8
Title of publication	Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.
Authors of publication	Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	13.4532 ± 0.0001 Å
b	25.5222 ± 0.0002 Å
c	16.7817 ± 0.0001 Å
α	90°
β	90.016 ± 0.001°
γ	90°
Cell volume	5762.08 ± 0.07 Å³
Cell temperature	170 ± 0.11 K
Ambient diffraction temperature	170 ± 0.11 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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