Crystallography Open Database

Information card for entry 7055107

Preview

Coordinates	7055107.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Indozolidinoindolones
Chemical name	(5S,11bR)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one
Formula	C16 H18 N2 O2
Calculated formula	C16 H18 N2 O2
SMILES	c1cccc2c1c1c([C@]3(CCC(=O)N3[C@@H](C1)CO)C)[nH]2
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	9.735 ± 0.003 Å
b	11.144 ± 0.003 Å
c	12.745 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1382.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0458
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7055107.cif
157741	2015-09-18	cif/ Adding structures of 7055107, 7055108, 7055109 via cif-deposit CGI script.	7055107.cif