Information card for entry 7126970

Structure parameters

• Formula: C17 H34 B2 Cl2 N4
• Calculated formula: C17 H34 B2 Cl2 N4
• SMILES: Cl[B]1(Cl)[N](=C(N(C2CCCCC2)B1N(C)C)N(C)C)C1CCCCC1
• Title of publication: Neutral cyclic sp²-sp³ and sp³-sp³ diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).
• Authors of publication: Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 68
• Pages of publication: 9807 - 9810
• a: 9.1674 ± 0.0007 Å
• b: 10.6202 ± 0.0009 Å
• c: 22.2091 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2162.3 ± 0.3 ų
• Cell temperature: 294.41 ± 0.1 K
• Ambient diffraction temperature: 294.41 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No