Crystallography Open Database

Information card for entry 7240638

Preview

Coordinates	7240638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 N2 O3 P
Calculated formula	C26 H39 N2 O3 P
SMILES	P(=O)([O-])C(C)N(Cc1ccccc1)Cc1ccccc1.[NH3+]C12CC3CC(C1)CC(C2)C3.O
Title of publication	Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction
Authors of publication	Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	36
Pages of publication	21329 - 21349
a	6.4395 ± 0.0002 Å
b	17.5869 ± 0.0005 Å
c	22.0784 ± 0.0006 Å
α	89.2506 ± 0.0016°
β	89.6121 ± 0.0012°
γ	83.8238 ± 0.0012°
Cell volume	2485.64 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0858
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
258120 (current)	2020-10-06	cif/ Updating files of 7240636, 7240637, 7240638, 7240639, 7240640, 7240641, 7240642, 7240643, 7240644, 7240645, 7240646, 7240647, 7240648, 7240649, 7240650, 7240651, 7240652, 7240653 Original log message: Adding full bibliography for 7240636--7240653.cif.	7240638.cif
252669	2020-06-05	cif/ Adding structures of 7240636, 7240637, 7240638, 7240639, 7240640, 7240641, 7240642, 7240643, 7240644, 7240645, 7240646, 7240647, 7240648, 7240649, 7240650, 7240651, 7240652, 7240653 via cif-deposit CGI script.	7240638.cif