Crystallography Open Database

Information card for entry 4107176

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Structure parameters

Formula	C48 H26 N2 O8
Calculated formula	C48 H26 N2 O8
SMILES	C1(=O)c2ccc(cc2)c2ccc(cc2)C(=O)c2ccc(cc2)Oc2cccc(c2)N2C(=O)c3cc4C(=O)N(C(=O)c4cc3C2=O)c2cccc(c2)Oc2ccc1cc2
Title of publication	Conformational Modulation of Sequence Recognition in Synthetic Macromolecules
Authors of publication	Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	19442 - 19447
a	30.384 ± 0.004 Å
b	18.213 ± 0.003 Å
c	12.9003 ± 0.0015 Å
α	90°
β	95.38 ± 0.01°
γ	90°
Cell volume	7107.4 ± 1.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
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	0.0884
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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