Crystallography Open Database

Information card for entry 4031745

Preview

Coordinates	4031745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 N2 O2
Calculated formula	C21 H26 N2 O2
Title of publication	A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.
Authors of publication	Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	24
Pages of publication	12006 - 12014
a	13.641 ± 0.004 Å
b	13.069 ± 0.004 Å
c	10.529 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1877 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1654
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.2071
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
173593 (current)	2016-01-06	cif/ Updating files of 4031745, 4031746 Original log message: Adding full bibliography for 4031745--4031746.cif.	4031745.cif
170521	2015-11-25	cif/ Adding structures of 4031745 via cif-deposit CGI script.	4031745.cif