Crystallography Open Database

Information card for entry 7158296

Preview

Coordinates	7158296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 N4 O3 S
Calculated formula	C26 H36 N4 O3 S
Title of publication	Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.
Authors of publication	Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	37
Pages of publication	8113 - 8117
a	7.80574 ± 0.00008 Å
b	34.1537 ± 0.0003 Å
c	9.6271 ± 0.00009 Å
α	90°
β	95.7493 ± 0.0009°
γ	90°
Cell volume	2553.63 ± 0.04 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
269772 (current)	2021-10-06	cif/ Updating files of 7158295, 7158296 Original log message: Adding full bibliography for 7158295--7158296.cif.	7158296.cif
269081	2021-09-10	cif/ Adding structures of 7158295, 7158296 via cif-deposit CGI script.	7158296.cif