Crystallography Open Database

Information card for entry 7158071

Preview

Coordinates	7158071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 N O
Calculated formula	C33 H30.905 N O
Title of publication	Rh(III)-Catalyzed olefination to build diverse oxazole derivatives from functional alkynes.
Authors of publication	He, Yuan; Zheng, Ting; Huang, Yin-Hui; Dong, Lin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	22
Pages of publication	4937 - 4942
a	9.8028 ± 0.0004 Å
b	11.5069 ± 0.0005 Å
c	12.8022 ± 0.0006 Å
α	65.998 ± 0.003°
β	84.345 ± 0.003°
γ	84.332 ± 0.003°
Cell volume	1310.06 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267236 (current)	2021-07-05	cif/ Updating files of 7158071 Original log message: Adding full bibliography for 7158071.cif.	7158071.cif
265051	2021-05-08	cif/ Adding structures of 7158071 via cif-deposit CGI script.	7158071.cif