Crystallography Open Database

Information card for entry 1505855

Preview

Coordinates	1505855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cr N O5
Calculated formula	C21 H17 Cr N O6
SMILES	[Cr]12345([c]6(n7ccc8ccccc78)[c]1([cH]2[cH]3[cH]4[c]56C)C1OCCO1)(C#[O])(C#[O])C#[O].O
Title of publication	Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.
Authors of publication	Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	6
Pages of publication	1097 - 1100
a	7.72 ± 0.02 Å
b	26.56 ± 0.08 Å
c	9.43 ± 0.04 Å
α	90°
β	89.8 ± 0.2°
γ	90°
Cell volume	1934 ± 11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1976
Residual factor for significantly intense reflections	0.1026
Weighted residual factors for significantly intense reflections	0.2551
Weighted residual factors for all reflections included in the refinement	0.3137
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505855.cif
131991	2015-02-18	cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '&#x0000%' repetitions from 38 CIFs in 1/50/.	1505855.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505855.cif
47794	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505855 via cif-deposit CGI script.	1505855.cif