Crystallography Open Database

Information card for entry 4112628

Preview

Coordinates	4112628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H112.5 F6 N O4.25 P
Calculated formula	C152 H102 F6 N O4.25 P
Title of publication	Design of New Chiral Phase-Transfer Catalysts with Dual Functions for Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones
Authors of publication	Takashi Ooi; Daisuke Ohara; Masazumi Tamura; Keiji Maruoka
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6844 - 6845
a	17.3108 ± 0.0007 Å
b	18.1981 ± 0.0009 Å
c	40.7902 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	12849.9 ± 0.9 Å³
Cell temperature	293.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112628.html