Crystallography Open Database

Information card for entry 7124005

Preview

Coordinates	7124005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H98 B2 F48 N4 O8
Calculated formula	C136 H98 B2 F48 N4 O8
Title of publication	Unexpected Solvent Effect on the Binding of Positively-Charged Macrocycles to Neutral Aromatic Hydrocarbons
Authors of publication	Wang, Yu-Mei; Yao, Huan; Quan, Mao; Chai, Hongxin; Yang, Liu-Pan; Pan, Ying-Ming; Jiang, Wei
Journal of publication	Chemical Communications
Year of publication	2019
a	13.978 ± 0.0005 Å
b	15.6198 ± 0.0006 Å
c	16.465 ± 0.0006 Å
α	75.305 ± 0.001°
β	85.445 ± 0.001°
γ	68.59 ± 0.002°
Cell volume	3237 ± 0.2 Å³
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	0.041
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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