Crystallography Open Database

Information card for entry 1568664

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Coordinates	1568664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H57 Cl5
Calculated formula	C73 H57 Cl5
Title of publication	Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.
Authors of publication	Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	38
Pages of publication	10420 - 10428
a	31.90908 ± 0.00014 Å
b	31.90908 ± 0.00014 Å
c	37.2706 ± 0.00018 Å
α	90°
β	90°
γ	120°
Cell volume	32864.4 ± 0.3 Å³
Cell temperature	169.99 ± 0.12 K
Ambient diffraction temperature	169.99 ± 0.12 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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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