Crystallography Open Database

Information card for entry 1505914

Preview

Coordinates	1505914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H55 N O4
Calculated formula	C48 H55 N O4
Title of publication	Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.
Authors of publication	Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	10
Pages of publication	1995 - 1997
a	11.365 ± 0.005 Å
b	21.338 ± 0.006 Å
c	16.49 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3999 ± 5 Å³
Cell temperature	298.1 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295947 (current)	2024-11-16	Replaced the '\/Y' character sequence with the backslash character ('\') in multiple data values.	1505914.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505914.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505914.cif
47848	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505913, 1505914 via cif-deposit CGI script.	1505914.cif