Crystallography Open Database

Information card for entry 4113530

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Coordinates	4113530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H90 N18 O48 Pr4
Calculated formula	C66 H90 N30 O84 Pr4
Title of publication	Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes
Authors of publication	Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2989 - 2996
a	27.396 ± 0.001 Å
b	27.3958 ± 0.0008 Å
c	10.7569 ± 0.0008 Å
α	90 ± 0.0003°
β	90 ± 0.0003°
γ	120 ± 0.0003°
Cell volume	6991.8 ± 0.6 Å³
Cell temperature	123.2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for significantly intense reflections	14.1151
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.25
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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