Crystallography Open Database

Information card for entry 1570899

Preview

Coordinates	1570899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 O3 P
Calculated formula	C26 H17 O3 P
SMILES	P1(=O)(Oc2c(c3ccccc3cc2)c2c(O1)ccc1c2cccc1)c1ccccc1
Title of publication	Luminescent Behavior of Zn(II) and Mn(II) Halide Derivatives of 4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-Oxide and Single-Crystal X-ray Structure Determination of the Ligand.
Authors of publication	Ferraro, Valentina; Castro, Jesús; Bortoluzzi, Marco
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2024
Journal volume	29
Journal issue	1
Pages of publication	239
a	10.1725 ± 0.0003 Å
b	10.5825 ± 0.0003 Å
c	18.4246 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1983.42 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0277
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
289657 (current)	2024-02-05	cif/ Adding structures of 1570899 via cif-deposit CGI script.	1570899.cif