Crystallography Open Database

Information card for entry 7228789

Preview

Coordinates	7228789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H129 Al2 N4 O2
Calculated formula	C87 H129 Al2 N4 O2
Title of publication	Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)
Authors of publication	Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	59
Pages of publication	37315
a	12.5098 ± 0.0016 Å
b	15.1447 ± 0.0019 Å
c	22.23 ± 0.003 Å
α	90°
β	104.731 ± 0.002°
γ	90°
Cell volume	4073.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.97 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
199366 (current)	2017-07-27	cif/ Adding structures of 7228783, 7228784, 7228785, 7228786, 7228787, 7228788, 7228789 via cif-deposit CGI script.	7228789.cif