Crystallography Open Database

Information card for entry 4113534

Preview

Coordinates	4113534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.67 H28 Br2 N6 O16.33 Pr1.33
Calculated formula	C22.6667 Br2 N10 O28.99 Pr1.33333
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	26.87 ± 0.001 Å
b	26.8699 ± 0.0008 Å
c	11.6699 ± 0.0008 Å
α	90 ± 0.0003°
β	90 ± 0.0003°
γ	120 ± 0.0003°
Cell volume	7296.8 ± 0.6 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.325
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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