Crystallography Open Database

Information card for entry 4021997

4021996 << 4021997 >> 4021998

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Coordinates	4021997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H115 F9 N20 O23
Calculated formula	C110.99 H114.97 F9 N20 O23
Title of publication	Amphipathic Helices from Aromatic Amino Acid Oligomers
Authors of publication	Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	7931 - 7939
a	10.6083 ± 0.0004 Å
b	21.8311 ± 0.0005 Å
c	24.3418 ± 0.0011 Å
α	86.317 ± 0.004°
β	89.074 ± 0.004°
γ	83.529 ± 0.003°
Cell volume	5589.6 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.162
Residual factor for significantly intense reflections	0.1427
Weighted residual factors for significantly intense reflections	0.4684
Weighted residual factors for all reflections included in the refinement	0.5164
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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