Crystallography Open Database

Information card for entry 7104309

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Coordinates	7104309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63.72 H69.72 Cl7.16 N6 O2 Ti
Calculated formula	C63.721 H69.721 Cl7.163 N6 O2 Ti
Title of publication	Entry to new N,O-ligands from oxygen-depleted calixarenes.
Authors of publication	Tzadka Bukhaltsev, Ella; Goldberg, Israel; Vigalok, Arkadi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	15
Pages of publication	2041 - 2043
a	12.3623 ± 0.0004 Å
b	16.3201 ± 0.0004 Å
c	19.1318 ± 0.0007 Å
α	83.938 ± 0.0019°
β	75.0364 ± 0.0013°
γ	71.1954 ± 0.0017°
Cell volume	3528.9 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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