Crystallography Open Database

Information card for entry 4034253

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Coordinates	4034253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110.82 H123.23 N8.41 O8
Calculated formula	C110.822 H123.233 N8.411 O8
Title of publication	Functionalized Helical β-Peptoids.
Authors of publication	Wellhöfer, Isabelle; Frydenvang, Karla; Kotesova, Simona; Christiansen, Andreas M.; Laursen, Jonas S.; Olsen, Christian A.
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	7
Pages of publication	3762 - 3779
a	11.242 ± 0.003 Å
b	40.833 ± 0.008 Å
c	11.278 ± 0.002 Å
α	90°
β	111.848 ± 0.006°
γ	90°
Cell volume	4805.3 ± 1.8 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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