Crystallography Open Database

Information card for entry 7224325

Preview

Coordinates	7224325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H21 Cl N4 O3
Calculated formula	C26.5 H21 Cl N4 O3
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	9.0133 ± 0.0001 Å
b	11.9653 ± 0.0001 Å
c	12 ± 0.0001 Å
α	83.142 ± 0.001°
β	81.233 ± 0.001°
γ	69.213 ± 0.001°
Cell volume	1192.79 ± 0.02 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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