Crystallography Open Database

Information card for entry 7238737

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Structure parameters

Common name	10,12-dimethyl-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one
Chemical name	10,12-dimethyl-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one
Formula	C20 H18 N2 O
Calculated formula	C20 H18 N2 O
Title of publication	Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A
Authors of publication	Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	33
Pages of publication	12665
a	5.1005 ± 0.0003 Å
b	12.8705 ± 0.0007 Å
c	23.9984 ± 0.0014 Å
α	90°
β	90.25 ± 0.005°
γ	90°
Cell volume	1575.38 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0708
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7238737.cif
244322	2019-11-28	cif/ Adding structures of 7238736, 7238737, 7238738, 7238739, 7238740 via cif-deposit CGI script.	7238737.cif