Crystallography Open Database

Information card for entry 1540034

Preview

Coordinates	1540034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 F6 N8 O4 Zn
Calculated formula	C32 H28 F6 N8 O4 Zn
SMILES	[Zn]1(OC(=O)C(F)(F)F)([n]2ccn(c2)Cc2cc(Cn3c[n](cc3)[Zn]([n]3ccn(c3)Cc3cc(Cn4c[n]1cc4)ccc3)(OC(=O)C(F)(F)F)([n]1ccn(c1)Cc1cc(Cn3cncc3)ccc1)(OC(=O)C(F)(F)F)[n]1ccn(c1)Cc1cc(Cn3ccnc3)ccc1)ccc2)OC(=O)C(F)(F)F
Title of publication	A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand
Authors of publication	Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1524
a	8.8018 ± 0.0015 Å
b	9.2775 ± 0.0016 Å
c	11.3673 ± 0.0019 Å
α	82.433 ± 0.002°
β	68.031 ± 0.002°
γ	67.635 ± 0.002°
Cell volume	796 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0265
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181749 (current)	2016-04-05	cif/ Updating files of 1540034, 1540035, 1540036 Original log message: Adding full bibliography for 1540034--1540036.cif.	1540034.cif
169168	2015-10-15	cif/ Adding structures of 1540034, 1540035, 1540036 via cif-deposit CGI script.	1540034.cif