Crystallography Open Database

Information card for entry 7035494

Preview

Coordinates	7035494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H29 N O
Calculated formula	C18 H29 N O
SMILES	Oc1c(cc(cc1)C(C)(C)C)CN(C)C1CCCCC1
Title of publication	Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.
Authors of publication	Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13700 - 13715
a	6.519 ± 0.005 Å
b	26.13 ± 0.02 Å
c	9.596 ± 0.006 Å
α	90°
β	94.95 ± 0.04°
γ	90°
Cell volume	1629 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
153150 (current)	2015-08-08	cif/ Updating files of 7035492, 7035493, 7035494 Original log message: Adding full bibliography for 7035492--7035494.cif.	7035494.cif
139456	2015-06-20	cif/ Adding structures of 7035492, 7035493, 7035494 via cif-deposit CGI script.	7035494.cif