Crystallography Open Database

Information card for entry 7160121

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Coordinates	7160121.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn-Nd nanoring
Formula	C228 H246 N12 Nd3 O51 Zn6
Calculated formula	C228 H246 N12 Nd3 O51 Zn6
Title of publication	Synthesis of Alkynyl Cyclopropa[c]coumarins via Propargyl Sulfonium Salts as C1 Synthon
Authors of publication	Chandrasekar, Lavanya; Yun-Zhen, Hsieh; Hao-Tse, Chou; Yu-Chen, Huang; Liu, Wei-Min
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	24.3982 ± 0.0008 Å
b	26.129 ± 0.0007 Å
c	27.8953 ± 0.0005 Å
α	72.391 ± 0.002°
β	67.651 ± 0.003°
γ	78.986 ± 0.003°
Cell volume	15618.4 ± 0.8 Å³
Cell temperature	190 ± 1 K
Ambient diffraction temperature	190 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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