Crystallography Open Database

Information card for entry 7224334

Preview

Coordinates	7224334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 N5 O4
Calculated formula	C28 H23 N5 O4
SMILES	O=C(Nc1ccccc1NC(=O)c1nc(ccc1)C(=O)Nc1ccccc1NC(=O)C)c1ccccc1
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	26.4407 ± 0.0011 Å
b	8.6348 ± 0.0003 Å
c	21.4502 ± 0.001 Å
α	90°
β	94.284 ± 0.002°
γ	90°
Cell volume	4883.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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