Information card for entry 4123321

Structure parameters

• Formula: C49 H35 Cl4 N3
• Calculated formula: C49 H29.6667 Cl4 N3
• Title of publication: Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.
• Authors of publication: Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1643 - 1649
• a: 17.754 ± 0.006 Å
• b: 19.033 ± 0.007 Å
• c: 19.752 ± 0.007 Å
• α: 88.7 ± 0.03°
• β: 89.12 ± 0.03°
• γ: 62.52 ± 0.04°
• Cell volume: 5920 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.1293
• Weighted residual factors for significantly intense reflections: 0.3508
• Weighted residual factors for all reflections included in the refinement: 0.389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No