Crystallography Open Database

Information card for entry 7231081

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Coordinates	7231081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H143 Cl6 N16 O10 S
Calculated formula	C92 H143 Cl6 N16 O10 S
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	13.6203 ± 0.0007 Å
b	16.4617 ± 0.0006 Å
c	25.0998 ± 0.0013 Å
α	108.871 ± 0.004°
β	95.521 ± 0.004°
γ	91.523 ± 0.004°
Cell volume	5290.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.2075
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2502
Weighted residual factors for all reflections included in the refinement	0.312
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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