Crystallography Open Database

Information card for entry 4112692

Preview

Coordinates	4112692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 B Cl F4 P3 Pt
Calculated formula	C61 H56 B Cl2 F4 P3 Pt
Title of publication	Elimination-Addition Mechanism for Nucleophilic Substitution Reaction of Cyclohexenyl Iodonium Salts and Regioselectivity of Nucleophilic Addition to the Cyclohexyne Intermediate
Authors of publication	Morifumi Fujita; Wan Hyeok Kim; Yuichi Sakanishi; Koji Fujiwara; Sayaka Hirayama; Tadashi Okuyama; Yasuhiro Ohki; Kazuyuki Tatsumi; Yasunori Yoshioka
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	7548 - 7558
a	43.157 ± 0.01 Å
b	12.009 ± 0.003 Å
c	20.925 ± 0.004 Å
α	90°
β	94.19 ± 0.003°
γ	90°
Cell volume	10816 ± 4 Å³
Cell temperature	173.2 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	0.0413
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.716
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/4112692.html