Crystallography Open Database

Information card for entry 1506135

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Structure parameters

Formula	C18 H24 N O3
Calculated formula	C18 H24 N O3
SMILES	O=CN1[C@@H](CC[C@H]1c1c(cc(cc1CC)CC)CC)C(=O)O
Title of publication	New efficient organic activators for highly enantioselective reduction of aromatic ketones by trichlorosilane.
Authors of publication	Matsumura, Yoshihiro; Ogura, Kanako; Kouchi, Yoshimi; Iwasaki, Fumiaki; Onomura, Osamu
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3789 - 3792
a	9.1848 ± 0.0009 Å
b	10.3498 ± 0.0003 Å
c	18.4659 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1755.38 ± 0.19 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.306
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506135.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506135.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506135.cif
48026	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506135 via cif-deposit CGI script.	1506135.cif