Crystallography Open Database

Information card for entry 7157001

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Coordinates	7157001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N2 S
Calculated formula	C26 H30 N2 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	17.6143 ± 0.0004 Å
b	8.8624 ± 0.00016 Å
c	29.0155 ± 0.0006 Å
α	90°
β	98.484 ± 0.002°
γ	90°
Cell volume	4479.9 ± 0.16 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	0.0715
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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