Information card for entry 2203178

Structure parameters

• Chemical name: 1,2-bis-(9-carbazol-9-ylmethylene)-3,4-diphenylcyclobutane
• Formula: C42 H30 N2
• Calculated formula: C42 H30 N2
• SMILES: n1(c2c(cccc2)c2c1cccc2)/C=C/1C(=C/n2c3c(cccc3)c3c2cccc3)\[C@@H]([C@H]1c1ccccc1)c1ccccc1.n1(c2c(cccc2)c2c1cccc2)/C=C/1C(=C/n2c3c(cccc3)c3c2cccc3)\[C@H]([C@@H]1c1ccccc1)c1ccccc1
• Title of publication: 1,2-Bis(carbazol-9-ylmethylene)-3,4-diphenylcyclobutane
• Authors of publication: Zubatyuk, Roman I.; Kharanenko, Oleg I.; Shishkin, Oleg V.; Dulenko, Vladimir I.; Kibalny, Alexander V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o301 - o302
• a: 8.83 ± 0.002 Å
• b: 11.932 ± 0.002 Å
• c: 14.888 ± 0.003 Å
• α: 90.94 ± 0.02°
• β: 105.58 ± 0.02°
• γ: 92.12 ± 0.02°
• Cell volume: 1509.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1801
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes