Crystallography Open Database

Information card for entry 1506260

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Structure parameters

Formula	C88 H118 N4 O24
Calculated formula	C88 H118 N4 O24
SMILES	N(C(=O)c1c(cc(c(N(C(=O)c2cc(C(=O)N(c3c(cc(c(C(=O)Nc4c(cc(c(c4)C(=O)OCC)OC)OC)c3)OCC(C)C)OCC(C)C)Cc3c(cc(cc3)OC)OC)c(cc2OCC(C)C)OCC(C)C)Cc2c(cc(cc2)OC)OC)c1)OCC(C)C)OCC(C)C)c1c(cc(c(c1)C(=O)OCC)OC)OC.CO.CO
Title of publication	Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.
Authors of publication	Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	22
Pages of publication	5117 - 5120
a	19.514 ± 0.002 Å
b	16.3891 ± 0.0019 Å
c	27.727 ± 0.003 Å
α	90°
β	101.243 ± 0.002°
γ	90°
Cell volume	8697.4 ± 1.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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