Crystallography Open Database

Information card for entry 4021455

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Coordinates	4021455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H68 N9 O9.25
Calculated formula	C63.25 H67 N9 O9.25
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	14.224 ± 0.003 Å
b	15.299 ± 0.004 Å
c	17.295 ± 0.004 Å
α	97.973 ± 0.004°
β	104.545 ± 0.004°
γ	117.658 ± 0.004°
Cell volume	3080.1 ± 1.2 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	0.2184
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2372
Weighted residual factors for all reflections included in the refinement	0.315
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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