Information card for entry 7029576

Structure parameters

• Formula: C15 H7 N
• Calculated formula: C15 H7 N
• Title of publication: A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions.
• Authors of publication: Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6643 - 6649
• a: 7.259 ± 0.003 Å
• b: 24.773 ± 0.008 Å
• c: 11.352 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2041.4 ± 1.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No