Crystallography Open Database

Information card for entry 4132530

Preview

Coordinates	4132530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H157 Cl15 N10 O0 Zn2
Calculated formula	C141 H157 Cl15 N10 Zn2
Title of publication	X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.
Authors of publication	Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	27
Pages of publication	8392 - 8395
a	18.8651 ± 0.0007 Å
b	19.7892 ± 0.0008 Å
c	20.6097 ± 0.0008 Å
α	69.546 ± 0.004°
β	85.836 ± 0.003°
γ	67.732 ± 0.004°
Cell volume	6655.5 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1748
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2328
Weighted residual factors for all reflections included in the refinement	0.2856
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
242500 (current)	2019-11-26	cif/ Adding structures of 4132530 via cif-deposit CGI script.	4132530.cif