Crystallography Open Database

Information card for entry 7238736

Preview

Coordinates	7238736.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	12-fluoro-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one
Chemical name	12-fluoro-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one
Formula	C18 H13 F N2 O
Calculated formula	C18 H13 F 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	4.6857 ± 0.0005 Å
b	13.4725 ± 0.0018 Å
c	22.52 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1421.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0658
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
244322 (current)	2019-11-28	cif/ Adding structures of 7238736, 7238737, 7238738, 7238739, 7238740 via cif-deposit CGI script.	7238736.cif