Crystallography Open Database

Information card for entry 1557297

Preview

Coordinates	1557297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N3 O5
Calculated formula	C23 H19 N3 O5
SMILES	O=C1N(N=C([C@]21OC=C([C@]12c2c(N(C1=O)C)cccc2)C(=O)OC)C)c1ccccc1
Title of publication	Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.
Authors of publication	Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	9
Pages of publication	1794 - 1799
a	11.2231 ± 0.0013 Å
b	8.1552 ± 0.0009 Å
c	11.9835 ± 0.0014 Å
α	90°
β	115.45 ± 0.005°
γ	90°
Cell volume	990.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257911 (current)	2020-10-06	cif/ Updating files of 1557297 Original log message: Adding full bibliography for 1557297.cif.	1557297.cif
249050	2020-03-05	cif/ Updating files of 1557297 Original log message: Adding full bibliography for 1557297.cif.	1557297.cif
248027	2020-02-11	cif/ Adding structures of 1557297 via cif-deposit CGI script.	1557297.cif