(R)-2-(benzylamino)-2-(2-chlorophenyl)-5-phenyl-1,3,2λ4-dioxaborolan-4-one, methanol

DOI: 10.14469/hpc/3899 Metadata

Created: 2018-03-13 06:28

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 2MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 42MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 5KB application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3900 The use of 11B NMR for identifying reaction intermediates.

Subject Keywords

KeywordValue
inchi InChI=1S/C21H19BClNO3/c23-19-14-8-7-13-18(19)22(24-15-16-9-3-1-4-10-16)26-20(21(25)27-22)17-11-5-2-6-12-17/h1-14,20H,15,24H2/t20-/m1/s1
inchikey JZJVETXAAAAZFF-HXUWFJFHSA-N

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