Crystallography Open Database

Information card for entry 7055520

Preview

Coordinates	7055520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H53 N5 O13 Zn2
Calculated formula	C72 H53 N5 O13 Zn2
Title of publication	Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase
Authors of publication	Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	6
Pages of publication	4891
a	21.9801 ± 0.001 Å
b	13.6765 ± 0.0006 Å
c	25.5651 ± 0.0011 Å
α	90°
β	102.217 ± 0.002°
γ	90°
Cell volume	7511.1 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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