Crystallography Open Database

Information card for entry 7055109

Preview

Coordinates	7055109.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	spiroindolopyrrolizinones
Chemical name	(1'R,7a'S)-7a'-methyl-2',3',7',7a'-tetrahydrospiro[indoline-3,1'-pyrrolizine]-2,5'(6'H)-dione
Formula	C15 H16 N2 O2
Calculated formula	C15 H16 N2 O2
SMILES	O=C1Nc2c([C@]31[C@@]1(N(CC3)C(=O)CC1)C)cccc2.O=C1Nc2c([C@@]31[C@]1(N(CC3)C(=O)CC1)C)cccc2
Title of publication	Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies
Authors of publication	Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9281
a	7.289 ± 0.003 Å
b	11.525 ± 0.004 Å
c	14.616 ± 0.005 Å
α	90°
β	91.587 ± 0.019°
γ	90°
Cell volume	1227.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.2204
Residual factor for significantly intense reflections	0.1267
Weighted residual factors for significantly intense reflections	0.3225
Weighted residual factors for all reflections included in the refinement	0.4145
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
171298 (current)	2015-12-09	cif/ Updating files of 7055107, 7055108, 7055109 Original log message: Adding full bibliography for 7055107--7055109.cif.	7055109.cif
157741	2015-09-18	cif/ Adding structures of 7055107, 7055108, 7055109 via cif-deposit CGI script.	7055109.cif