Crystallography Open Database

Information card for entry 7707700

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Coordinates	7707700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 Al Cl N2 O2
Calculated formula	C42 H56 Al Cl N2 O2
Title of publication	Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.
Authors of publication	Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11039 - 11048
a	9.9908 ± 0.0006 Å
b	12.7225 ± 0.0007 Å
c	29.7257 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3778.4 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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