Crystallography Open Database

Information card for entry 7158457

Preview

Coordinates	7158457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl N Si
Calculated formula	C20 H20 Cl N Si
Title of publication	One-step synthesis of indolizino[3,4,5-<i>ab</i>]isoindoles by manganese(I)-catalyzed C-H activation: structural studies and photophysical properties.
Authors of publication	Cembellín, Sara; Maisuls, Iván; Daniliuc, Constantin G.; Osthues, Helena; Doltsinis, Nikos L.; Strassert, Cristian A.; Glorius, Frank
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	4
Pages of publication	796 - 800
a	8.4528 ± 0.0003 Å
b	10.0726 ± 0.0004 Å
c	11.6966 ± 0.0006 Å
α	77.56 ± 0.004°
β	75.781 ± 0.003°
γ	68.597 ± 0.002°
Cell volume	890.01 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
272767 (current)	2022-02-04	cif/ Updating files of 7158457 Original log message: Adding full bibliography for 7158457.cif.	7158457.cif
271599	2021-12-23	cif/ Adding structures of 7158457 via cif-deposit CGI script.	7158457.cif