Information card for entry 4109956

Structure parameters

• Formula: C23 H25 Cl N4
• Calculated formula: C23 H25 Cl N4
• SMILES: Cl[C@@H]1C=C[C@@H]2[C@H]1[C@@]1(C(=C([C@]2(C(C1(C#N)C#N)(C#N)C#N)CC)CC)CC)CC.Cl[C@H]1C=C[C@H]2[C@@H]1[C@]1(C(=C([C@@]2(C(C1(C#N)C#N)(C#N)C#N)CC)CC)CC)CC
• Title of publication: 1-Chloro-4,5,6,7-tetraalkyldihydroindene Formation by Reaction of Bis(cyclopentadienyl)titanacyclopentadienes with Titanium Chloride
• Authors of publication: Tamotsu Takahashi; Zhiyi Song; Kimihiko Sato; Yuichi Kuzuba; Kiyohiko Nakajima; Ken-ichiro Kanno
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11678 - 11679
• a: 14.246 ± 0.004 Å
• b: 18.017 ± 0.004 Å
• c: 17.078 ± 0.004 Å
• α: 90°
• β: 108.182 ± 0.011°
• γ: 90°
• Cell volume: 4164.6 ± 1.8 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No