Information card for entry 7122899

Structure parameters

• Formula: C18 H36 B21 N
• Calculated formula: C18 H36 B21 N
• Title of publication: Synthesis of 9-Borafluorene Analogues Featuring a Three-Dimensional 1,1’-Bis(o-carborane) Backbone
• Authors of publication: Yruegas, Sam; Axtell, Jonathan; Kirlikovali, Kent; Spokoyny, Alex; Martin, Caleb Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.739 ± 0.0007 Å
• b: 16.5577 ± 0.0011 Å
• c: 19.2181 ± 0.0013 Å
• α: 90°
• β: 96.68 ± 0.002°
• γ: 90°
• Cell volume: 3710.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2753
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No