Crystallography Open Database

Information card for entry 1504718

Preview

Coordinates	1504718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 N O2
Calculated formula	C23 H29 N O2
SMILES	CC[C@@H](c1ccccc1)[C@@H]1[C@@](O)(CC)CCN(C1=O)Cc1ccccc1.CC[C@H](c1ccccc1)[C@H]1[C@](O)(CC)CCN(C1=O)Cc1ccccc1
Title of publication	Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents.
Authors of publication	Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	14
Pages of publication	2939 - 2942
a	12.039 ± 0.002 Å
b	22.635 ± 0.004 Å
c	14.321 ± 0.003 Å
α	90°
β	93.33 ± 0.012°
γ	90°
Cell volume	3895.9 ± 1.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.1829
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for all reflections	0.1138
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.0522
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	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.	1504718.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504718.cif
42312	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504718 via cif-deposit CGI script.	1504718.cif