Crystallography Open Database

Information card for entry 1506311

Preview

Coordinates	1506311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105.5 H143 N8 O8.5
Calculated formula	C105.5 H124 N8 O8.5
Title of publication	Regioselectively N-methylated azacalix[8]arene octamethyl ether prepared by catalytic aryl amination reaction using a temporal N-silylation protocol.
Authors of publication	Ishibashi, Koichi; Tsue, Hirohito; Tokita, Satoshi; Matsui, Kazuhiro; Takahashi, Hiroki; Tamura, Rui
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	26
Pages of publication	5991 - 5994
a	24.468 ± 0.002 Å
b	24.214 ± 0.003 Å
c	19.3043 ± 0.0019 Å
α	90°
β	102.267 ± 0.007°
γ	90°
Cell volume	11176 ± 2 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.3856
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
176435 (current)	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.	1506311.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506311.cif
48179	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506311 via cif-deposit CGI script.	1506311.cif