Crystallography Open Database

Information card for entry 4514114

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Coordinates	4514114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H0 N19 O27
Calculated formula	C52 H44 N4 O8
Title of publication	Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.
Authors of publication	Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli
Journal of publication	ACS nano
Year of publication	2017
Journal volume	11
Journal issue	4
Pages of publication	4206 - 4216
a	9.494 ± 0.005 Å
b	10.567 ± 0.006 Å
c	10.951 ± 0.006 Å
α	90°
β	97.678 ± 0.005°
γ	90°
Cell volume	1088.8 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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