Crystallography Open Database

Information card for entry 7043976

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Coordinates	7043976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 Br F12 N5 O2
Calculated formula	C40 H50 Br F12 N5 O2
Title of publication	Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform
Authors of publication	Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal
Journal of publication	Dalton Trans.
Year of publication	2017
a	17.524 ± 0.001 Å
b	14.7884 ± 0.0008 Å
c	17.9804 ± 0.0009 Å
α	90°
β	101.09 ± 0.006°
γ	90°
Cell volume	4572.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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