Crystallography Open Database

Information card for entry 4035909

Preview

Coordinates	4035909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H59 Cl15 F40 N12 O8 Os2
Calculated formula	C119 H59 Cl15 F40 N12 O8 Os2
Title of publication	Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.
Authors of publication	Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	1
Pages of publication	239 - 256
a	13.33 ± 0.004 Å
b	16.128 ± 0.005 Å
c	16.174 ± 0.005 Å
α	115.91 ± 0.004°
β	90.019 ± 0.005°
γ	92.124 ± 0.005°
Cell volume	3125 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.2531
Weighted residual factors for all reflections included in the refinement	0.2812
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227309 (current)	2019-11-11	cif/ Adding structures of 4035909 via cif-deposit CGI script.	4035909.cif