Information card for entry 7045997

Structure parameters

• Formula: C94 H62 Br8 Mg N16 O S
• Calculated formula: C94 H62 Br8 Mg N16 O S
• Title of publication: Optical readout of controlled monomer-dimer self-assembly.
• Authors of publication: Tarakanov, Pavel A.; Tarakanova, Ekaterina N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Trashin, Stanislav A.; De Wael, Karolien; Neganova, Margarita E.; Mischenko, Denis V.; Sessler, Jonathan L.; Stuzhin, Pavel A.; Pushkarev, Victor E.; Tomilova, Larisa G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14169 - 14173
• a: 15.325 ± 0.003 Å
• b: 27.895 ± 0.006 Å
• c: 33.306 ± 0.007 Å
• α: 113.35 ± 0.03°
• β: 100.91 ± 0.03°
• γ: 95.58 ± 0.03°
• Cell volume: 12599 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2374
• Residual factor for significantly intense reflections: 0.1361
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No