Information card for entry 7053501

Structure parameters

• Formula: C30 H16 N2
• Calculated formula: C30 H16 N2
• SMILES: c12c3c(c4c5c1c1c(cccc1)n5c1c4cccc1)c1c(cccc1)n3c1c2cccc1
• Title of publication: Dibenzo[2,3:5,6]pyrrolizino[1,7-bc]indolo[1,2,3-lm]carbazole: a new electron donor
• Authors of publication: Niebel, Claude; Lokshin, Vladimir; Ben-Asuly, Amos; Marine, Wladimir; Karapetyan, Artak; Khodorkovsky, Vladimir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1243
• a: 5.795 ± 0.005 Å
• b: 15.097 ± 0.005 Å
• c: 10.982 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.368 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 948 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No