Crystallography Open Database

Information card for entry 7703095

Preview

Coordinates	7703095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H79 Br3 Cu3 N18 O9
Calculated formula	C77 H79 Br3 Cu3 N18 O9
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	14.284 ± 0.002 Å
b	14.674 ± 0.002 Å
c	19.778 ± 0.003 Å
α	108.886 ± 0.005°
β	91.815 ± 0.006°
γ	95.593 ± 0.006°
Cell volume	3894.9 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.85 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	0.0617
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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.	7703095.cif
246378	2020-01-01	cif/ Adding structures of 7703093, 7703094, 7703095 via cif-deposit CGI script.	7703095.cif