Crystallography Open Database

Information card for entry 7107867

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Coordinates	7107867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 N6 O10
Calculated formula	C35 H42 N4 O13
Title of publication	Solvent dependence of helix stability in aromatic oligoamide foldamers
Authors of publication	Ting Qi; Victor Maurizot; Hiroki Noguchi; Thiraporn Charoenraks; Brice Kauffmann; Makoto Takafuji; Hirotaka Ihara; Ivan Huc
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	6337
a	7.3608 ± 0.0015 Å
b	24.153 ± 0.005 Å
c	40.044 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	7119 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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