Crystallography Open Database

Information card for entry 7156899

Preview

Coordinates	7156899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 B F N2
Calculated formula	C27 H38 B F N2
Title of publication	Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.
Authors of publication	Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	25
Pages of publication	6158 - 6164
a	17.3954 ± 0.0017 Å
b	9.9115 ± 0.001 Å
c	14.4462 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2490.7 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
225175 (current)	2019-11-08	cif/ Updating files of 7156897, 7156898, 7156899 Original log message: Adding full bibliography for 7156897--7156899.cif.	7156899.cif
215707	2019-06-05	cif/ Adding structures of 7156897, 7156898, 7156899 via cif-deposit CGI script.	7156899.cif