Crystallography Open Database

Information card for entry 4026853

Preview

Coordinates	4026853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 Al O
Calculated formula	C20 H25 Al O
Title of publication	Aluminepin: Aluminum Analogues of Borepin and Gallepin
Authors of publication	Kengo Yoshida; Taniyuki Furuyama; Chao Wang; Atsuya Muranaka; Daisuke Hashizume; Shuji Yasuike; Masanobu Uchiyama
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	729 - 732
a	9.5556 ± 0.0001 Å
b	13.4123 ± 0.0002 Å
c	14.4803 ± 0.0003 Å
α	90°
β	107.654 ± 0.0007°
γ	90°
Cell volume	1768.43 ± 0.05 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
178447 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68.	4026853.cif
80907	2013-04-11	cif/ Adding structures of 4026853 via cif-deposit CGI script.	4026853.cif