Information card for entry 7006136

Structure parameters

• Formula: C25 H44 B Cl2 N3
• Calculated formula: C25 H44 B Cl2 N3
• SMILES: [B]1(Cl)([N](=C(N(C2CCCCC2)C2CCCCC2)N1C1CCCCC1)C1CCCCC1)Cl
• Title of publication: Insertion reactions of dicyclohexylcarbodiimide with aminoboranes, -boryls and -borylenes.
• Authors of publication: Pierce, Glesni A.; Coombs, Natalie D.; Willock, David J.; Day, Joanna K.; Stasch, Andreas; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4405 - 4412
• a: 12.981 ± 0.003 Å
• b: 16.321 ± 0.003 Å
• c: 12.556 ± 0.003 Å
• α: 90°
• β: 103.5 ± 0.03°
• γ: 90°
• Cell volume: 2586.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No