Crystallography Open Database

Information card for entry 2311966

2311965 << 2311966 >> 2311967

Preview

Coordinates	2311966.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-1',2'-Bis(4-chlorobenzoyl)-5,7-dichloro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine] dichloromethane 0.981-solvate
Formula	C28.981 H21.962 Cl5.962 N2 O3
Calculated formula	C28.981 H21.962 Cl5.962 N2 O3
Title of publication	Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.
Authors of publication	Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1109 - 1115
a	12.8 ± 0.004 Å
b	12.511 ± 0.005 Å
c	18.638 ± 0.005 Å
α	90°
β	99.325 ± 0.012°
γ	90°
Cell volume	2945.3 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0319
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246189 (current)	2019-12-26	cif/ Adding structures of 2311965, 2311966 via cif-deposit CGI script.	2311966.cif