Crystallography Open Database

Information card for entry 7226485

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Coordinates	7226485.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4'-Hydroxy-3'-(4-methoxybenzoyl)-1'-phenyl-2H,4H-spiro-[furo[3,2-c]chromene-3,2'-pyrrole]-2,4,5'(1'H)-trione
Formula	C28 H17 N O8
Calculated formula	C28 H17 N O8
SMILES	O=c1oc2c(c3OC(=O)C4(N(C(=O)C(=C4C(=O)c4ccc(OC)cc4)O)c4ccccc4)c13)cccc2
Title of publication	Spiro-condensation of 5-methoxycarbonyl-1H-pyrrole-2,3-diones with cyclic enoles to form spiro substituted furo[3,2-c]-coumarins and quinolines
Authors of publication	Dubovtsev, Alexey Yu.; Silaichev, Pavel S.; Nazarov, Mikhail A.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	88
Pages of publication	84730
a	8.2673 ± 0.0011 Å
b	18.169 ± 0.003 Å
c	14.955 ± 0.002 Å
α	90°
β	91.962 ± 0.013°
γ	90°
Cell volume	2245.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
186219 (current)	2016-09-06	cif/ Adding structures of 7226485, 7226486 via cif-deposit CGI script.	7226485.cif