Crystallography Open Database

Information card for entry 7157479

Preview

Coordinates	7157479.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	azaspiro deca trienedione
Chemical name	1-methyl-4-phenyl-3-(phenylselanyl)-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione
Formula	C44 H34 N2 O4 Se2
Calculated formula	C44 H34 N2 O4 Se2
Title of publication	Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.
Authors of publication	Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	18
Pages of publication	3544 - 3551
a	9.6477 ± 0.0005 Å
b	14.9116 ± 0.0008 Å
c	13.3181 ± 0.0007 Å
α	90°
β	98.129 ± 0.002°
γ	90°
Cell volume	1896.73 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
252927 (current)	2020-06-05	cif/ Updating files of 7157478, 7157479 Original log message: Adding full bibliography for 7157478--7157479.cif.	7157479.cif
251071	2020-04-23	cif/ Adding structures of 7157478, 7157479 via cif-deposit CGI script.	7157479.cif