Crystallography Open Database

Information card for entry 4119224

4119223 << 4119224 >> 4119225

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Coordinates	4119224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Al Cl6 N O4
Calculated formula	C25 H20 Al Cl6 N O4
Title of publication	A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates
Authors of publication	Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1228 - 1231
a	17.236 ± 0.0019 Å
b	15.7823 ± 0.0017 Å
c	19.047 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5181.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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