Crystallography Open Database

Information card for entry 4320424

4320423 << 4320424 >> 4320425

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Coordinates	4320424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 N2 O4 Ti
Calculated formula	C24 H36 N2 O4 Ti
SMILES	C1[N]2(C)Cc3ccccc3O[Ti]32(OC(C)C)([N](C1)(C)Cc1ccccc1O3)OC(C)C
Title of publication	Achiral Tetrahydrosalen Ligands for the Synthesis of C2-Symmetric Titanium Complexes: A Structure and Diastereoselectivity Study
Authors of publication	Jaume Balsells; Patrick J. Carroll; Patrick J. Walsh
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5568 - 5574
a	20.7685 ± 0.0003 Å
b	14.2301 ± 0.0003 Å
c	16.979 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5017.94 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for all reflections	0.0791
Weighted residual factors for significantly intense reflections	0.0784
Goodness-of-fit parameter for all reflections	1.053
Goodness-of-fit parameter for significantly intense reflections	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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