Crystallography Open Database

Information card for entry 1518567

Preview

Coordinates	1518567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Br N O3
Calculated formula	C24 H22 Br N O3
SMILES	Brc1c(OC)c2c(cc1OC)CC1=CC(=O)N([C@@]31c1ccccc1C=C[C@H]23)CC
Title of publication	Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.
Authors of publication	Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	676 - 679
a	8.9945 ± 0.0002 Å
b	12.4644 ± 0.0002 Å
c	17.7143 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1985.97 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	1518567.cif
133001	2015-03-04	cif/ Updating files of 1518565, 1518566, 1518567 Original log message: Adding full bibliography for 1518565--1518567.cif.	1518567.cif
129953	2015-01-17	cif/ Adding structures of 1518567 via cif-deposit CGI script.	1518567.cif