Crystallography Open Database

Information card for entry 7045491

Preview

Coordinates	7045491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 F N3 O2
Calculated formula	C32 H26 F N3 O2
Title of publication	Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.
Authors of publication	Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3880 - 3905
a	14.536 ± 0.002 Å
b	10.3088 ± 0.0016 Å
c	18.813 ± 0.003 Å
α	90°
β	111.418 ± 0.002°
γ	90°
Cell volume	2624.4 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229993 (current)	2019-11-17	cif/ Updating files of 7045484, 7045485, 7045486, 7045487, 7045488, 7045489, 7045490, 7045491, 7045492, 7045493, 7045494, 7045495, 7045496, 7045497, 7045498 Original log message: Adding full bibliography for 7045484--7045498.cif.	7045491.cif
206002	2018-02-01	cif/ Adding structures of 7045484, 7045485, 7045486, 7045487, 7045488, 7045489, 7045490, 7045491, 7045492, 7045493, 7045494, 7045495, 7045496, 7045497, 7045498 via cif-deposit CGI script.	7045491.cif