Information card for entry 2009094

Structure parameters

• Formula: C36 H23.5 F7.5 N2 O11.5
• Calculated formula: C36 H23 F7.5 N2 O11.5
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide‒trifluoroacetic acid‒phenol (1/2.5/0.5)
• Authors of publication: Kovalevsky, A.Yu.; Shishkin, O. V.; Ponomarev, I.I.; Shishkina, S. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1911 - 1913
• a: 8.905 ± 0.004 Å
• b: 9.497 ± 0.003 Å
• c: 10.321 ± 0.005 Å
• α: 93.83 ± 0.03°
• β: 99.9 ± 0.03°
• γ: 90.42 ± 0.03°
• Cell volume: 857.8 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No