Crystallography Open Database

Information card for entry 7715146

Preview

Coordinates	7715146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H41 N4 Na O
Calculated formula	C28 H41 N4 Na O
SMILES	[Na]123(OC(=C)c5c6ccccc6cc6ccccc56)[N](CC[N]1(C)C)(CC[N]2(C)C)CC[N]3(C)C
Title of publication	Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.
Authors of publication	Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	10
Pages of publication	4719 - 4728
a	11.3331 ± 0.0005 Å
b	12.8913 ± 0.0005 Å
c	19.8712 ± 0.0009 Å
α	90°
β	103.504 ± 0.004°
γ	90°
Cell volume	2822.9 ± 0.2 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.174
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290923 (current)	2024-04-05	cif/ Updating files of 7715143, 7715144, 7715145, 7715146, 7715147 Original log message: Adding full bibliography for 7715143--7715147.cif.	7715146.cif
289798	2024-02-13	cif/ Adding structures of 7715143, 7715144, 7715145, 7715146, 7715147 via cif-deposit CGI script.	7715146.cif