Crystallography Open Database

Information card for entry 4023399

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Structure parameters

Formula	C20 H24 N2 O2
Calculated formula	C20 H24 N2 O2
SMILES	n1c(ccc2ccc3ccc(nc3c12)C[C@H](O)CC)C[C@H](O)CC
Title of publication	Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative
Authors of publication	Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	3911 - 3914
a	4.8667 ± 0.0001 Å
b	17.233 ± 0.0006 Å
c	20.4925 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1718.66 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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