Crystallography Open Database

Information card for entry 7705332

Preview

Coordinates	7705332.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	IB-305
Formula	C22 H21 N3 O2 P2 S4
Calculated formula	C22 H21 N3 O2 P2 S4
Title of publication	[4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.
Authors of publication	Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12776 - 12779
a	15.3334 ± 0.0004 Å
b	11.384 ± 0.0003 Å
c	27.2807 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4762 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1461
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2203
Weighted residual factors for all reflections included in the refinement	0.2659
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257546 (current)	2020-10-06	cif/ Updating files of 7705332, 7705333 Original log message: Adding full bibliography for 7705332--7705333.cif.	7705332.cif
255793	2020-09-02	cif/ Adding structures of 7705332, 7705333 via cif-deposit CGI script.	7705332.cif