Crystallography Open Database

Information card for entry 4035233

Preview

Coordinates	4035233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 N2 O3
Calculated formula	C27 H32 N2 O3
Title of publication	Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.
Authors of publication	Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	19
Pages of publication	12007 - 12022
a	10.9296 ± 0.0002 Å
b	16.2586 ± 0.0004 Å
c	14.4963 ± 0.0003 Å
α	90°
β	96.6854 ± 0.0012°
γ	90°
Cell volume	2558.48 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.211
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
226705 (current)	2019-11-11	cif/ Adding structures of 4035230, 4035231, 4035232, 4035233, 4035234, 4035235, 4035236, 4035237, 4035238, 4035239 via cif-deposit CGI script.	4035233.cif