Crystallography Open Database

Information card for entry 4037310

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Coordinates	4037310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H186 N12 O7 S
Calculated formula	C176 H186 N12 O7 S
Title of publication	Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.
Authors of publication	Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	20
Pages of publication	9848 - 9857
a	31.448 ± 0.008 Å
b	17.914 ± 0.004 Å
c	72.329 ± 0.018 Å
α	90°
β	93.536 ± 0.004°
γ	90°
Cell volume	40670 ± 17 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
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	0.1134
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2609
Weighted residual factors for all reflections included in the refinement	0.2837
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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