Crystallography Open Database

Information card for entry 7157003

Preview

Coordinates	7157003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 N4 S2
Calculated formula	C46 H44 N4 S2
Title of publication	Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
Authors of publication	Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	33
Pages of publication	7782 - 7793
a	9.16773 ± 0.00005 Å
b	14.33308 ± 0.00008 Å
c	15.08193 ± 0.00008 Å
α	90°
β	104.093 ± 0.0005°
γ	90°
Cell volume	1922.15 ± 0.019 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157003.html