Crystallography Open Database

Information card for entry 4037284

Preview

Coordinates	4037284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H96 N8 O24.21 P2
Calculated formula	C86 H96 N8 O24.205 P2
Title of publication	Scalable Synthesis of Enantiopure Bis-3,4-diazaphospholane Ligands for Asymmetric Catalysis.
Authors of publication	Jones, Bradley R.; Abrams, M. Leigh; Landis, Clark R.; May, Scott A.; Campbell, Alison N.; Martinelli, Joseph R.; Calvin, Joel R.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	23
Pages of publication	11965 - 11970
a	19.2424 ± 0.0006 Å
b	19.606 ± 0.0007 Å
c	50.4378 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	19028.5 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1688
Residual factor for significantly intense reflections	0.1501
Weighted residual factors for significantly intense reflections	0.4166
Weighted residual factors for all reflections included in the refinement	0.4728
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
235891 (current)	2019-11-24	cif/ Adding structures of 4037284 via cif-deposit CGI script.	4037284.cif