Crystallography Open Database

Information card for entry 7132685

Preview

Coordinates	7132685.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	FLG-308
Formula	C28 H23 Mo O6 P
Calculated formula	C28 H23 Mo O6 P
SMILES	[Mo]([P]2(OC(C2)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.
Authors of publication	Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	19
Pages of publication	2625 - 2628
a	9.4957 ± 0.0006 Å
b	18.3164 ± 0.0014 Å
c	22.5419 ± 0.0016 Å
α	99.296 ± 0.002°
β	92.701 ± 0.002°
γ	95.011 ± 0.002°
Cell volume	3846.9 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1453
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation probe	x-ray
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
290082 (current)	2024-03-04	cif/ Updating files of 7132681, 7132682, 7132683, 7132684, 7132685, 7132686 Original log message: Adding full bibliography for 7132681--7132686.cif.	7132685.cif
289737	2024-02-08	cif/ Adding structures of 7132681, 7132682, 7132683, 7132684, 7132685, 7132686 via cif-deposit CGI script.	7132685.cif