Crystallography Open Database

Information card for entry 7155852

Preview

Coordinates	7155852.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-methyl-2-oxo-5-((E)-(2-oxo-4,8b-dihydro-2H-indeno[1,2-b]furan-3(3aH)-ylidene) methoxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
Formula	C22 H23 N O6
Calculated formula	C22 H23 N O6
SMILES	O1C(=O)/C(=C/O[C@H]2N(C(=O)C(=C2)C)C(=O)OC(C)(C)C)[C@H]2[C@@H]1c1c(C2)cccc1
Title of publication	Recent Advances in the Synthesis of Analogues of Phytohormones Strigolactones with Ring-Closing Metathesis as a Key Step
Authors of publication	Prandi, Cristina; Lombardi, Chiara; Artuso, Emma; LOLLI, Marco Lucio Lucio; Grandi, Eleonora; Priola, Emanuele; Spyrakis, Francesca
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	9.0736 ± 0.0013 Å
b	10.7768 ± 0.0012 Å
c	21.461 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2098.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.108
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200021 (current)	2017-08-31	cif/ Adding structures of 7155852 via cif-deposit CGI script.	7155852.cif