Crystallography Open Database

Information card for entry 7716111

Preview

Coordinates	7716111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 N2 O2 P
Calculated formula	C27 H37 N2 O2 P
SMILES	P1(=O)([O-])[N+](=C(C=C(N1c1c(cc(cc1C)C)C)C(C)C)C(C)C)c1c(cc(cc1C)C)C
Title of publication	Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.
Authors of publication	Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	23
Pages of publication	9887 - 9895
a	7.4666 ± 0.0003 Å
b	12.1844 ± 0.0003 Å
c	14.2288 ± 0.0005 Å
α	98.309 ± 0.002°
β	92.873 ± 0.003°
γ	105.787 ± 0.003°
Cell volume	1227.13 ± 0.08 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0928
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
293128 (current)	2024-07-05	cif/ Updating files of 7716105, 7716106, 7716107, 7716108, 7716109, 7716110, 7716111, 7716112, 7716113, 7716114, 7716115, 7716116 Original log message: Adding full bibliography for 7716105--7716116.cif.	7716111.cif
291973	2024-05-22	cif/ Adding structures of 7716105, 7716106, 7716107, 7716108, 7716109, 7716110, 7716111, 7716112, 7716113, 7716114, 7716115, 7716116 via cif-deposit CGI script.	7716111.cif