Crystallography Open Database

Information card for entry 4122265

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Structure parameters

Formula	C37 H40 N2 O4
Calculated formula	C37 H40 N2 O4
SMILES	Oc1c(cc(OC)cc1C(C)(C)C)c1nc(cc1)=C(c1[nH]c(c2cc(OC)cc(c2O)C(C)(C)C)cc1)c1ccccc1
Title of publication	Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.
Authors of publication	Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	30
Pages of publication	10728 - 10735
a	10.429 ± 0.008 Å
b	11.009 ± 0.008 Å
c	14.729 ± 0.009 Å
α	76.4 ± 0.03°
β	69.4 ± 0.03°
γ	79.46 ± 0.03°
Cell volume	1529.2 ± 1.9 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1462
Residual factor for significantly intense reflections	0.1036
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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