Structure elucidation of dicarboxylate complex of SnIV porphyrin with a ring current effect model

Tetrahedron

Volumn 62, Issue 12, 2006, Pages 2789-2798

  Iwamoto, Hajime ^a   Hori, Kenji ^b   Fukazawa, Yoshimasa ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

^b YAMAGUCHI UNIVERSITY   (Japan)

Author keywords

Conformation analysis; Density functional calculation; Porphyrin ring current; Structure elucidation

Indexed keywords

CARBOXYLIC ACID DERIVATIVE; DICARBOXYLIC ACID; DINAPHTHALENE 1 CARBOXYLATE; DINAPHTHALENE 2 CARBOXYLATE; NAPHTHALENE DERIVATIVE; PORPHYRIN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFORMATION; CRYSTALLIZATION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

EID: 32844459983     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2006.01.020     Document Type: Article

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58. 3, and Z=1. Data were collected at 298 K on a Mac Science DIP2030 imaging plate equipped with graphite-monochromated Mo Kα radiation (λ=0.71073 Å). Unit cell parameters were determined by auto-indexing several images in each data set separately with the program DENZO. For each data set, rotation images were collected in 3° increments with a total rotation of 180° about φ. Data were processed by using SCALEPACK. (The programs DENZO and SCALEPACK are available from Mac Science Co., Z. Otwinowski, University of Texas, Southwestern Medical Center.) Of 5813 total unique reflections, 5010 were considered observed at the level of |Fo|>4.0σ|Fo|. On WinGX (Farrugia, L. J., J. Appl. Crystallogr. 1999, 32, pp 837-838)
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