phenylboroxine complex with 2 equiv. benzylamine

DOI: 10.14469/hpc/2764 Metadata

Created: 2017-07-23 10:03

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

_database_code_depnum_ccdc_archive 1551621

Files

FilenameSizeTypeDescription
phenylboroxine_complex_with_2_equiv_benzylamine.cif 1MB chemical/x-cif CIF dataset, including thermal parameters and hkl indices

Member of collection / collaboration

DOIDescription
10.14469/hpc/2248 A mechanistic insight into the boron-catalysed direct amidation reaction. Crystal structures

Subject Keywords

KeywordValue
inchi InChI=1S/C21H20B3NO3.C11H11B3NO3.C7H9N.C5H4.C4H4N.C4H4.2C3H3.C3H2.C2H.CH.4H/c1-2-24(25-18-19-12-6-3-7-13-19)27-22(20-14-8-4-9-15-20)26-23(28-24)21-16-10-5-11-17-21;1-10(2)13-16-12(3)17-14(15-4,18-13)11-8-6-5-7-9-11;8-6-7-4-2-1-3-5-7;1-3-5-4-2;1-4(2)3-5;1-3-4-2;3*1-3-2;1-2;;;;;/h1,3-17H,18,25H2;1-2,5-9H,4,15H2;1-5H,6,8H2;1,3-5H;1,3H,5H2;1-4H;2*1-3H;1,3H;1H;1H;;;;/b;;;5-4-;;;;;;;;;;;
inchikey JAWDJAYZUDQJOK-NSRHZNOZSA-N

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