Crystallography Open Database

Information card for entry 7231080

Preview

Coordinates	7231080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H70 Br6 F6 N14 O6 Si
Calculated formula	C60 H70 Br6 F6 N14 O6 Si
Title of publication	Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality
Authors of publication	Manna, Utsab; Das, Gopal
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	31
Pages of publication	4406
a	15.372 ± 0.006 Å
b	21.983 ± 0.006 Å
c	26.797 ± 0.009 Å
α	90°
β	92.632 ± 0.01°
γ	90°
Cell volume	9046 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.3126
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2246
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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