Information card for entry 4031092

Structure parameters

• Formula: C72 H76 N4
• Calculated formula: C72 H76 N4
• Title of publication: Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.
• Authors of publication: Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 6300 - 6312
• a: 8.5347 ± 0.0019 Å
• b: 10.853 ± 0.003 Å
• c: 16.733 ± 0.004 Å
• α: 77.67 ± 0.04°
• β: 86.61 ± 0.04°
• γ: 67.97 ± 0.05°
• Cell volume: 1403.2 ± 0.8 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No