Crystallography Open Database

Information card for entry 1505856

Preview

Coordinates	1505856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cr N O5
Calculated formula	C22 H19 Cr N O5
SMILES	[Cr]12345(C#[O])([c]6([cH]4[cH]1[cH]5[c]2([c]36n1c(cc2c1cccc2)C)C1OCCO1)C)(C#[O])C#[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	14.681 ± 0.002 Å
b	14.7727 ± 0.0019 Å
c	37.15 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	8057 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1656
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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.	1505856.cif
131991	2015-02-18	cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '&#x0000%' repetitions from 38 CIFs in 1/50/.	1505856.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505856.cif
47795	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505856 via cif-deposit CGI script.	1505856.cif