Crystallography Open Database

Information card for entry 1501919

1501918 << 1501919 >> 1501920

Preview

Coordinates	1501919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H75 N5 O5
Calculated formula	C55 H75 N5 O5
SMILES	O(c1c2Nc3cc(cc(Nc4cc(cc(Nc5cc(cc(Nc6cc(cc(Nc1cc(c2)C(C)(C)C)c6OC)C(C)(C)C)c5OC)C(C)(C)C)c4OC)C(C)(C)C)c3OC)C(C)(C)C)C
Title of publication	Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.
Authors of publication	Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	490 - 493
a	17.115 Å
b	13.105 Å
c	26.8951 Å
α	90°
β	109.374°
γ	90°
Cell volume	5690.76 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	1.0024 Å
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.	1501919.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501919.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501919.cif
35260	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501918, 1501919 via cif-deposit CGI script.	1501919.cif