Crystallography Open Database

Information card for entry 7119506

7119505 << 7119506 >> 7119507

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Coordinates	7119506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Al2 Li2 N4 O2
Calculated formula	C36 H52 Al2 Li2 N4 O2
Title of publication	A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.
Authors of publication	García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	7
Pages of publication	1225 - 1228
a	9.9938 ± 0.0003 Å
b	10.2452 ± 0.0003 Å
c	19.3556 ± 0.0006 Å
α	75.1082 ± 0.0013°
β	77.7169 ± 0.0013°
γ	84.5937 ± 0.0013°
Cell volume	1869.74 ± 0.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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