Crystallography Open Database

Information card for entry 7157009

Preview

Coordinates	7157009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N3 O0.5 S
Calculated formula	C26 H29.84 N3 O0.4925 S
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	14.3834 ± 0.0002 Å
b	10.6941 ± 0.0001 Å
c	29.8026 ± 0.0006 Å
α	90°
β	98.643 ± 0.002°
γ	90°
Cell volume	4532.1 ± 0.12 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225094 (current)	2019-11-08	cif/ Updating files of 7157000, 7157001, 7157002, 7157003, 7157004, 7157005, 7157006, 7157007, 7157008, 7157009, 7157010 Original log message: Adding full bibliography for 7157000--7157010.cif.	7157009.cif
217303	2019-07-30	cif/ Adding structures of 7157000, 7157001, 7157002, 7157003, 7157004, 7157005, 7157006, 7157007, 7157008, 7157009, 7157010 via cif-deposit CGI script.	7157009.cif