TY  - JOUR
A1  - Hippius, Catharina
A1  - Würthner, Frank
A1  - Bolte, Michael
T1  - 5-Bromo-17-nitro-26,28-prop-2-enoxy-25,27-dipropoxycalix[4]arene
T2  - Acta crystallographica / Section E, Structure reports online
N2  - Molecules of the title compound, C40H42BrNO6, are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The propoxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propenoxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methylene C atoms and the aromatic rings shows that the propenoxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the propoxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methylene C atoms. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.006 A° ; disorder in main residue; R factor = 0.065; wR factor = 0.130; data-to-parameter ratio = 11.8.
Y1  - 2009
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6898
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30-69029
N1  - This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
VL  - 65
IS  - o617
ER  -