Information card for entry 7223530

Structure parameters

• Formula: C47 H39 N
• Calculated formula: C47 H39 N
• Title of publication: Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
• Authors of publication: Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 11722 - 11737
• a: 15.6323 ± 0.0007 Å
• b: 14.7468 ± 0.0007 Å
• c: 14.4198 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3324.1 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No