Crystallography Open Database

Information card for entry 1568663

Preview

Coordinates	1568663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84.7 H68.52
Calculated formula	C84.698 H68.512
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	11.53234 ± 0.00011 Å
b	17.8477 ± 0.00019 Å
c	30.031 ± 0.0003 Å
α	90°
β	91.5252 ± 0.0009°
γ	90°
Cell volume	6178.96 ± 0.11 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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