Crystallography Open Database

Information card for entry 1565488

Preview

Coordinates	1565488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H44 N2 O P2
Calculated formula	C43 H44 N2 O P2
SMILES	[C@H](C)(c1ccccc1)N1[C@@H](c2ccccc2)c2c(ccc3c2cccc3)OP1N([C@@H](C)c1ccccc1)P(C(C)(C)C)c1ccccc1
Title of publication	Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis
Authors of publication	Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	5
Pages of publication	1392 - 1399
a	10.0784 ± 0.0003 Å
b	11.7543 ± 0.0003 Å
c	30.5885 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3623.65 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0247
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274938 (current)	2022-05-05	cif/ Updating files of 1565488 Original log message: Adding full bibliography for 1565488.cif.	1565488.cif
270986	2021-12-03	cif/ Adding structures of 1565488 via cif-deposit CGI script.	1565488.cif