Crystallography Open Database

Information card for entry 7238605

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Coordinates	7238605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N3 O5
Calculated formula	C17 H15 N3 O5
Title of publication	Electrocatalysis in MIRC reaction strategy: facile stereoselective approach to medicinally relevant spirocyclopropylbarbiturates from barbituric acids and activated olefins
Authors of publication	Dorofeeva, Evgeniya O.; Elinson, Michail N.; Vereshchagin, Anatoly N.; Stepanov, Nikita O.; Bushmarinov, Ivan S.; Belyakov, Pavel A.; Sokolova, Olga O.; Nikishin, Gennady I.
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	10
Pages of publication	4444
a	9.4235 ± 0.0011 Å
b	10.3957 ± 0.0012 Å
c	15.9888 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1566.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244253 (current)	2019-11-28	cif/ Adding structures of 7238605 via cif-deposit CGI script.	7238605.cif