Crystallography Open Database

Information card for entry 7047162

Preview

Coordinates	7047162.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,3,4,5-tetraphenyl-1-(1R,2S,5R)-menthyl)oxymethyl-1-phosphacyclopentadiene-2,4
Formula	C39 H41 O P
Calculated formula	C39 H41 O P
Title of publication	Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.
Authors of publication	Oshchepkova, Elena; Zagidullin, Almaz; Burganov, Timur; Katsyuba, Sergey; Miluykov, Vasily; Lodochnikova, Olga
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	33
Pages of publication	11521 - 11529
a	12.34 ± 0.01 Å
b	5.501 ± 0.005 Å
c	23.97 ± 0.02 Å
α	90°
β	93.693 ± 0.013°
γ	90°
Cell volume	1624 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1496
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
229416 (current)	2019-11-17	cif/ Updating files of 7047162, 7047163 Original log message: Adding full bibliography for 7047162--7047163.cif.	7047162.cif
209282	2018-07-27	cif/ Adding structures of 7047162, 7047163 via cif-deposit CGI script.	7047162.cif