Crystallography Open Database

Information card for entry 4100026

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Coordinates	4100026.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,5-bis-(1-cyclohexyl-4-hydroxy-4-methyl-3-oxopentyl)-1-methyl-1H-pyrrole
Formula	C29 H47 N O4
Calculated formula	C29 H47 N O4
Title of publication	α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations
Authors of publication	Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	15.856 ± 0.001 Å
b	9.4706 ± 0.0008 Å
c	20.2922 ± 0.0014 Å
α	90°
β	112.441 ± 0.004°
γ	90°
Cell volume	2816.4 ± 0.4 Å³
Cell temperature	160 ± 1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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