Crystallography Open Database

Information card for entry 7231082

Preview

Coordinates	7231082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H110 Cl6 N16 O9
Calculated formula	C77 H110 Cl6 N16 O9
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	19.3717 ± 0.0013 Å
b	22.5639 ± 0.0014 Å
c	19.5218 ± 0.001 Å
α	90°
β	92.14 ± 0.006°
γ	90°
Cell volume	8527 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.2546
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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