Crystallography Open Database

Information card for entry 4113589

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Coordinates	4113589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119.6 H134.7 Cl1.1 N16 O26.6
Calculated formula	C119.6 H114 Cl1.1 N16 O26.6
Title of publication	Aromatic δ-Peptides
Authors of publication	Hua Jiang; Jean-Michel Léger; Ivan Huc
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	3448 - 3449
a	46.711 ± 0.002 Å
b	18.829 ± 0.002 Å
c	30.085 ± 0.002 Å
α	90°
β	96.79 ± 0.02°
γ	90°
Cell volume	26275 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.241
Residual factor for significantly intense reflections	0.1373
Weighted residual factors for all reflections	0.513
Weighted residual factors for significantly intense reflections	0.3791
Goodness-of-fit parameter for all reflections	0.997
Goodness-of-fit parameter for significantly intense reflections	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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