Crystallography Open Database

Information card for entry 4111921

4111920 << 4111921 >> 4111922

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Coordinates	4111921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H151 N17 O18
Calculated formula	C140.75 H149.25 N17 O18
Title of publication	Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects
Authors of publication	Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12943 - 12951
a	17.8823 ± 0.0008 Å
b	17.9987 ± 0.0008 Å
c	21.8143 ± 0.0009 Å
α	86.313 ± 0.003°
β	69.151 ± 0.003°
γ	74.408 ± 0.003°
Cell volume	6316.1 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1445
Residual factor for significantly intense reflections	0.1132
Weighted residual factors for significantly intense reflections	0.3723
Weighted residual factors for all reflections included in the refinement	0.4161
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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