Crystallography Open Database

Information card for entry 4029480

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Coordinates	4029480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H103 N18 O11
Calculated formula	C55 H107.5 N18 O11
Title of publication	Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.
Authors of publication	Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	12
Pages of publication	5494 - 5502
a	10.379 ± 0.002 Å
b	33.918 ± 0.007 Å
c	19.627 ± 0.004 Å
α	90°
β	99.06 ± 0.03°
γ	90°
Cell volume	6823 ± 2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 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	0.0541
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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