Information card for entry 7059684

Structure parameters

• Formula: C9 H18 B10 N2
• Calculated formula: C9 H18 B10 N2
• SMILES: N(=N/c1c(cccc1)C)\[B]1234[CH]567[CH]891[BH]1%107[BH]7%116[BH]625[BH]254[BH]438[BH]39%10[BH]81%11[BH]762[BH]5438
• Title of publication: Synthesis and structure of 3-arylazo derivatives of ortho-carborane
• Authors of publication: Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 10199 - 10202
• a: 19.235 ± 0.003 Å
• b: 7.0992 ± 0.0011 Å
• c: 21.796 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2976.3 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No