Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: Recognition of aromatic guests

Journal of the Chemical Society. Perkin Transactions 2

Volumn 2, Issue 9, 2002, Pages 1611-1619

  Yoshitake, Yasuyuki ^a   Misaka, Junichi ^a   Setoguchi, Koji ^a   Abe, Masaki ^a   Kawaji, Tomohiro ^a   Eto, Masashi ^b   Harano, Kazunobu ^a  

^a KUMAMOTO UNIVERSITY   (Japan)

^b TOKAI UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CRYSTALLINE MATERIALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SYNTHESIS (CHEMICAL); X RAY ANALYSIS;

X RAY CRYSTAL ANALYSIS;

ORGANOMETALLICS;

EID: 0036025641     PISSN: 03009580     EISSN: None     Source Type: Journal    
DOI: 10.1039/b201915a     Document Type: Article

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22. The calculated edge-to-face distances between the C8-H of the naphthyl group and the phenanthrene plane are as follows: PM3, 2.574 Å AM1, 2.722 Å HF/6–31G*, 2.831 Å B3LYP/6–31G*, 2.777 Å.
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24. the H⋯O&═C bond distances and angles are as follows: CH3COCH(CH3)–H⋯O&═C(CH2)N–, 2.52 Å, 139.5° and naphthyl-C2–H⋯O&═C of butan-2-one, 2.57 Å, 161.3°.
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30. Similar twisted or puckered structures of the phenanthrene ring were observed in several cases: the torsion angles of C4–C4a–C4b–C5 of the DA adducts from the reactions of phencyclone with p-bromostyrene 2a and cyclooctatetraene 2b are 12.40 and 4.90, respectively.
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