Crystallography Open Database

Information card for entry 4021452

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Coordinates	4021452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.5 H72 N8 O10.5
Calculated formula	C64.5 H72 N8 O10.5
Title of publication	Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol
Authors of publication	Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	1131 - 1138
a	14.02 ± 0.005 Å
b	15.153 ± 0.005 Å
c	16.128 ± 0.006 Å
α	110.655 ± 0.006°
β	92.14 ± 0.006°
γ	104.819 ± 0.006°
Cell volume	3068.5 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1756
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.2777
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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