Crystallography Open Database

Information card for entry 1552393

Preview

Coordinates	1552393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N3 S
Calculated formula	C15 H11 N3 S
Title of publication	Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes
Authors of publication	Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga
Journal of publication	Photochemical & Photobiological Sciences
Year of publication	2019
a	6.9254 ± 0.0005 Å
b	15.9044 ± 0.0011 Å
c	23.161 ± 0.0016 Å
α	90°
β	92.348 ± 0.001°
γ	90°
Cell volume	2548.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0511
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
219175 (current)	2019-10-09	cif/ Adding structures of 1552392, 1552393, 1552394, 1552395, 1552396, 1552397, 1552398, 1552399, 1552400 via cif-deposit CGI script.	1552393.cif