Crystallography Open Database

Information card for entry 7705232

Preview

Coordinates	7705232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N O3 S
Calculated formula	C28 H27 N O3 S
Title of publication	Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.
Authors of publication	Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12418 - 12431
a	9.1955 ± 0.0003 Å
b	15.873 ± 0.0005 Å
c	16.3458 ± 0.0005 Å
α	90°
β	92.775 ± 0.003°
γ	90°
Cell volume	2383.04 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
257552 (current)	2020-10-06	cif/ Updating files of 7705232, 7705233, 7705234, 7705235, 7705236 Original log message: Adding full bibliography for 7705232--7705236.cif.	7705232.cif
255575	2020-08-22	cif/ Adding structures of 7705232, 7705233, 7705234, 7705235, 7705236 via cif-deposit CGI script.	7705232.cif