Information card for entry 7153329

Structure parameters

• Formula: C33 H25 N O2
• Calculated formula: C33 H25 N O2
• SMILES: C(=O)(c1cc2ccccc2c2ccccc12)N(C(=O)c1cc2ccccc2c2ccccc12)CCC
• Title of publication: Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.
• Authors of publication: Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 2174 - 2179
• a: 9.4894 ± 0.0018 Å
• b: 27.726 ± 0.005 Å
• c: 9.0631 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2384.5 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No