Crystallography Open Database

Information card for entry 1551377

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Coordinates	1551377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H88 N26 O18
Calculated formula	C168.12 H88.08 N26.04 O18
Title of publication	Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Authors of publication	Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Journal of publication	Nature Chemistry
Year of publication	2014
Journal volume	6
Pages of publication	779 - 784
a	19.4393 ± 0.0005 Å
b	19.4393 ± 0.0005 Å
c	28.547 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	9342.3 ± 0.7 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.2333
Residual factor for significantly intense reflections	0.1195
Weighted residual factors for significantly intense reflections	0.3079
Weighted residual factors for all reflections included in the refinement	0.3914
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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