Crystallography Open Database

Information card for entry 7152920

Preview

Coordinates	7152920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H67 Cl3 F4 N10 O12
Calculated formula	C43 H67 Cl3 F4 N10 O12
Title of publication	Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.
Authors of publication	Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	19
Pages of publication	3168 - 3176
a	31.8762 ± 0.0015 Å
b	11.7398 ± 0.0006 Å
c	16.4074 ± 0.0008 Å
α	90°
β	116.395 ± 0.002°
γ	90°
Cell volume	5499.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0543
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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