Crystallography Open Database

Information card for entry 1543405

Preview

Coordinates	1543405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N
Calculated formula	C18 H19 N
SMILES	[nH]1c2c(c3c1cccc3)cc(c1CCCC(c21)C)C
Title of publication	Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.
Authors of publication	Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	3002 - 3005
a	15.415 ± 0.002 Å
b	8.1212 ± 0.001 Å
c	21.625 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2707.2 ± 0.7 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
184969 (current)	2016-08-05	cif/ Updating files of 1543405, 1543406 Original log message: Adding full bibliography for 1543405--1543406.cif.	1543405.cif
183331	2016-06-11	cif/ Adding structures of 1543405 via cif-deposit CGI script.	1543405.cif