Crystallography Open Database

Information card for entry 7248250

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Coordinates	7248250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H78 Cl Cu N6 O7
Calculated formula	C63 H80.0001 Cl Cu N6 O7
Title of publication	Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22
Authors of publication	Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	15
Pages of publication	2051 - 2055
a	18.231 ± 0.0002 Å
b	18.231 ± 0.0002 Å
c	18.231 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6059.43 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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