Crystallography Open Database

Information card for entry 4024637

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Coordinates	4024637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H106 N12 O14
Calculated formula	C96 H106 N12 O14
Title of publication	Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s
Authors of publication	Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	4949 - 4957
a	13.387 ± 0.002 Å
b	17.522 ± 0.002 Å
c	23.044 ± 0.003 Å
α	111.151 ± 0.009°
β	96.563 ± 0.011°
γ	103.945 ± 0.009°
Cell volume	4770.2 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.1603
Residual factor for significantly intense reflections	0.1343
Weighted residual factors for significantly intense reflections	0.4111
Weighted residual factors for all reflections included in the refinement	0.4329
Goodness-of-fit parameter for all reflections included in the refinement	1.585
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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