Crystallography Open Database

Information card for entry 4024640

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Coordinates	4024640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H71 Cl10 F N8 O8
Calculated formula	C67 H71 Cl10 F N8 O8
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	20.318 ± 0.004 Å
b	18.965 ± 0.004 Å
c	18.194 ± 0.004 Å
α	90°
β	90.13 ± 0.03°
γ	90°
Cell volume	7011 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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