Crystallography Open Database

Information card for entry 7112163

Preview

Coordinates	7112163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.5 H24 Cl N3 O3
Calculated formula	C18.25 H24 Cl N3 O3
Title of publication	Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization
Authors of publication	Keiji Mori; Kazuki Kurihara; Takahiko Akiyama
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3729
a	10.0579 ± 0.0006 Å
b	10.0579 ± 0.0006 Å
c	36.133 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3655.3 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112163.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112163.cif
107452	2014-03-19	cif/ Adding structures of 7112161, 7112162, 7112163 via cif-deposit CGI script.	7112163.cif