Crystallography Open Database

Information card for entry 7156968

Preview

Coordinates	7156968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N O6
Calculated formula	C25 H21 N O6
Title of publication	Catalytic enantioselective Michael addition of 2-substituted benzofuran-3-ones to 2-enoyl pyridines.
Authors of publication	Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	30
Pages of publication	7166 - 7171
a	9.2333 ± 0.0003 Å
b	11.1033 ± 0.0004 Å
c	11.1547 ± 0.0003 Å
α	100.671 ± 0.002°
β	93.538 ± 0.002°
γ	93.953 ± 0.002°
Cell volume	1117.89 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225222 (current)	2019-11-08	cif/ Updating files of 7156968 Original log message: Adding full bibliography for 7156968.cif.	7156968.cif
216951	2019-07-11	cif/ Adding structures of 7156968 via cif-deposit CGI script.	7156968.cif