Crystallography Open Database

Information card for entry 7703094

Preview

Coordinates	7703094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 Cu F6 N9 O3 P
Calculated formula	C66 H56 Cu F6 N9 O3 P
Title of publication	Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.
Authors of publication	Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	682 - 689
a	10.2363 ± 0.0003 Å
b	28.3921 ± 0.001 Å
c	20.3755 ± 0.0008 Å
α	90°
β	103.01 ± 0.002°
γ	90°
Cell volume	5769.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	0.886
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
247746 (current)	2020-02-04	cif/ Updating files of 7703093, 7703094, 7703095 Original log message: Adding full bibliography for 7703093--7703095.cif.	7703094.cif
246378	2020-01-01	cif/ Adding structures of 7703093, 7703094, 7703095 via cif-deposit CGI script.	7703094.cif