Crystallography Open Database

Information card for entry 7219143

7219142 << 7219143 >> 7219144

Preview

Coordinates	7219143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 N5 O
Calculated formula	C25 H17 N5 O
SMILES	c1ccc2c(c1)N(C)C(=O)C12C(C(=C(C2=C1CCc1ccccc21)C#N)N)(C#N)C#N
Title of publication	Enantioselective assembly of functionalized carbocyclic spirooxindoles using L-proline derived thiourea organocatalyst
Authors of publication	gajulapali, pratap reddy; Poopathy, Vinayagam; Venkitasamy, KESAVAN
Journal of publication	RSC Adv.
Year of publication	2014
a	7.4484 ± 0.0002 Å
b	13.8881 ± 0.0005 Å
c	19.3487 ± 0.0007 Å
α	90°
β	98.318 ± 0.001°
γ	90°
Cell volume	1980.45 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219143.cif
128870	2014-12-20	cif/ Adding structures of 7219143 via cif-deposit CGI script.	7219143.cif