Crystallography Open Database

Information card for entry 4107177

Preview

Coordinates	4107177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H53 N5 O10
Calculated formula	C89 H53 N5 O10
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	15.9918 ± 0.0002 Å
b	35.2582 ± 0.0005 Å
c	26.4571 ± 0.0003 Å
α	90°
β	102.261 ± 0.001°
γ	90°
Cell volume	14577.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.1122
Weighted residual factors for all reflections	0.3069
Weighted residual factors for significantly intense reflections	0.2697
Weighted residual factors for all reflections included in the refinement	0.3069
Goodness-of-fit parameter for all reflections included in the refinement	0.9523
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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