Crystallography Open Database

Information card for entry 4033362

Preview

Coordinates	4033362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 Cl N S
Calculated formula	C10 H14 Cl N S
Title of publication	Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.
Authors of publication	Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	3
Pages of publication	1394 - 1401
a	7.3724 ± 0.0015 Å
b	7.3724 ± 0.0015 Å
c	20.222 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1099.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1598
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	0.821
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227616 (current)	2019-11-12	cif/ Updating files of 4033361, 4033362, 4033363 Original log message: Adding full bibliography for 4033361--4033363.cif.	4033362.cif
205276	2018-01-17	cif/ Adding structures of 4033362 via cif-deposit CGI script.	4033362.cif