Crystallography Open Database

Information card for entry 7101148

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Coordinates	7101148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H69 Br Cl N9
Calculated formula	C52.5 H69 Br Cl N9
Title of publication	Calix[4]bipyrrole - A big, flexible, yet effective chloride-selective anion receptor
Authors of publication	Jonathan L. Sessler; Deqiang An.; Won-Seob Cho.; Vincent Lynch; Manual Marquez
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	4
a	21.4853 ± 0.0003 Å
b	15.7904 ± 0.0002 Å
c	29.377 ± 0.0005 Å
α	90°
β	91.265 ± 0.001°
γ	90°
Cell volume	9964.1 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.1693
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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