Information card for entry 4088459

Structure parameters

• Formula: C27 H34 N4
• Calculated formula: C27 H34 N4
• SMILES: N#CC1([C@H]2[C@]3(C=CC[C@]3([C@](C(=C2)CCC)(C1(C#N)C#N)CCC)CCC)CCC)C#N.N#CC1([C@@H]2[C@@]3(C=CC[C@@]3([C@@](C(=C2)CCC)(C1(C#N)C#N)CCC)CCC)CCC)C#N
• Title of publication: Separation of Five Linearly Aligned Carbons into Two-Carbon and Three-Carbon Groups on Titanium
• Authors of publication: Song, Zhiyi; Hsieh, Yi-Fang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1092
• a: 8.5413 ± 0.0003 Å
• b: 9.5405 ± 0.0004 Å
• c: 15.9126 ± 0.0006 Å
• α: 76.1641 ± 0.0012°
• β: 85.1754 ± 0.0013°
• γ: 78.7076 ± 0.0012°
• Cell volume: 1233.75 ± 0.08 ų
• Cell temperature: 298.1 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No