Crystallography Open Database

Information card for entry 1543406

Preview

Coordinates	1543406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N
Calculated formula	C17 H17 N
SMILES	[nH]1c2c(c3ccccc13)cc(c1c2C(C)CC1)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	15.4841 ± 0.0017 Å
b	20.8131 ± 0.0019 Å
c	7.9546 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2563.5 ± 0.4 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	3
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1543406.cif
183332	2016-06-11	cif/ Adding structures of 1543406 via cif-deposit CGI script.	1543406.cif