Crystallography Open Database

Information card for entry 7127146

Preview

Coordinates	7127146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 Cl O P
Calculated formula	C21 H30 Cl O P
SMILES	P(=O)([C@H]1C[C@@H]1c1ccc(Cl)cc1)(C1CCCCC1)C1CCCCC1.P(=O)([C@@H]1C[C@H]1c1ccc(Cl)cc1)(C1CCCCC1)C1CCCCC1
Title of publication	Phosphinative cyclopropanation of allyl phosphates with lithium phosphides.
Authors of publication	Shintani, Ryo; Ohzono, Ayase; Shirota, Kentaro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	79
Pages of publication	11851 - 11854
a	5.7668 ± 0.0015 Å
b	11.743 ± 0.003 Å
c	28.998 ± 0.007 Å
α	95.169 ± 0.006°
β	90.067 ± 0.006°
γ	102.805 ± 0.007°
Cell volume	1906.7 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.0731
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260644 (current)	2021-01-07	cif/ Updating files of 7127146 Original log message: Adding full bibliography for 7127146.cif.	7127146.cif
255769	2020-09-01	cif/ Adding structures of 7127146 via cif-deposit CGI script.	7127146.cif