Crystallography Open Database

Information card for entry 7101929

7101928 << 7101929 >> 7101930

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Coordinates	7101929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 N5 O4 S2
Calculated formula	C31 H37 N5 O4 S2
Title of publication	Isophthalamides and 2,6-dicarboxamidopyridines with pendant indole groups: a 'twisted' binding mode for selective fluoride recognition.
Authors of publication	Bates, Gareth W; Gale, Philip A; Light, Mark E
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2007
Journal issue	21
Pages of publication	2121 - 2123
a	26.9646 ± 0.001 Å
b	9.8223 ± 0.0003 Å
c	27.2375 ± 0.001 Å
α	90°
β	119.586 ± 0.003°
γ	90°
Cell volume	6273.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.1403
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2375
Weighted residual factors for all reflections included in the refinement	0.2748
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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