Crystallography Open Database

Information card for entry 7159792

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Coordinates	7159792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H97 N9 O12
Calculated formula	C56 H97 N9 O12
Title of publication	The influence of backbone fluorination on the helicity of α/γ-hybrid peptides
Authors of publication	Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
Journal volume	22
Journal issue	8
Pages of publication	1608 - 1612
a	17.7179 ± 0.0007 Å
b	17.7179 ± 0.0007 Å
c	81.727 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	25656.1 ± 1.7 Å³
Cell temperature	152.41 K
Ambient diffraction temperature	152.41 K
Number of distinct elements	4
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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