Crystallography Open Database

Information card for entry 4123808

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Coordinates	4123808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H68 Fe2 N6 O9
Calculated formula	C62 H68 Fe2 N6 O9
Title of publication	Rational Design of Chiral Nanostructures from Self-Assembly of a Ferrocene-Modified Dipeptide.
Authors of publication	Wang, Yuefei; Qi, Wei; Huang, Renliang; Yang, Xuejiao; Wang, Mengfan; Su, Rongxin; He, Zhimin
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	24
Pages of publication	7869 - 7880
a	17.349 ± 0.004 Å
b	17.563 ± 0.004 Å
c	23.855 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7269 ± 3 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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