Crystallography Open Database

Information card for entry 7214825

Preview

Coordinates	7214825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H29 N5 O5
Calculated formula	C34 H29 N5 O5
Title of publication	Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation
Authors of publication	Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	21
Pages of publication	7398
a	12.7568 ± 0.0005 Å
b	16.6186 ± 0.0007 Å
c	16.5266 ± 0.0007 Å
α	90°
β	124.487 ± 0.003°
γ	90°
Cell volume	2887.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1302
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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