Crystallography Open Database

Information card for entry 4025093

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Coordinates	4025093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H76 B2 F8 N4 O4 Pd
Calculated formula	C46 H76 B2 F8 N4 O4 Pd
Title of publication	Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes
Authors of publication	Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	9274 - 9279
a	21.325 ± 0.009 Å
b	15.977 ± 0.004 Å
c	61.3 ± 0.03 Å
α	90°
β	96.74 ± 0.03°
γ	90°
Cell volume	20742 ± 14 Å³
Cell temperature	143.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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