Crystallography Open Database

Information card for entry 4024639

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Coordinates	4024639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H93 N12 O13
Calculated formula	C91 H93 N12 O13
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	13.471 ± 0.003 Å
b	17.872 ± 0.004 Å
c	18.764 ± 0.004 Å
α	103.82 ± 0.03°
β	91.95 ± 0.03°
γ	110.35 ± 0.03°
Cell volume	4079.2 ± 1.4 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	0.404
Residual factor for significantly intense reflections	0.113
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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