Information card for entry 7126664

Structure parameters

• Formula: C28 H45 N3
• Calculated formula: C28 H45 N3
• SMILES: N1(c2c(cccc2C(C)C)C(C)C)C(C=C2N(C(=C(N2C)C)C)C)C(CC1(C)C)(C)C
• Title of publication: Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.
• Authors of publication: Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8233 - 8236
• a: 9.409 ± 0.0003 Å
• b: 10.8582 ± 0.0004 Å
• c: 13.6751 ± 0.0005 Å
• α: 73.417 ± 0.003°
• β: 88.835 ± 0.003°
• γ: 73.82 ± 0.003°
• Cell volume: 1283.31 ± 0.08 ų
• Cell temperature: 119.96 ± 0.1 K
• Ambient diffraction temperature: 119.96 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No