Crystallography Open Database

Information card for entry 7101931

7101930 << 7101931 >> 7101932

Preview

Coordinates	7101931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H62 F N5 O2
Calculated formula	C44 H62 F N5 O2
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	9.783 ± 0.0004 Å
b	18.6247 ± 0.0005 Å
c	11.3671 ± 0.0005 Å
α	90°
β	102.697 ± 0.002°
γ	90°
Cell volume	2020.5 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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