Crystallography Open Database

Information card for entry 7122127

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Coordinates	7122127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 Cl F3 N4 O4.5 S
Calculated formula	C38 H52 Cl F3 N4 O4.5 S
Title of publication	An anion receptor that facilitates transmembrane proton-anion symport by deprotonating its sulfonamide N-H proton.
Authors of publication	Shinde, Sopan Valiba; Talukdar, Pinaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	73
Pages of publication	10351 - 10354
a	20.234 ± 0.004 Å
b	13.246 ± 0.002 Å
c	30.365 ± 0.006 Å
α	90°
β	101.943 ± 0.005°
γ	90°
Cell volume	7962 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.126
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.2478
Weighted residual factors for all reflections included in the refinement	0.283
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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