Crystallography Open Database

Information card for entry 7224332

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Coordinates	7224332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 N5 O5
Calculated formula	C30 H27 N5 O5
Title of publication	Conformational properties and folding analysis of a series of seven oligoamide foldamers
Authors of publication	Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	2005
a	8.7193 ± 0.0002 Å
b	13.1332 ± 0.0003 Å
c	13.2791 ± 0.0005 Å
α	114.688 ± 0.001°
β	97.288 ± 0.001°
γ	103.693 ± 0.001°
Cell volume	1297.73 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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