Information card for entry 7227885

Structure parameters

• Formula: C121 H132 Cl6 N12 O15
• Calculated formula: C121 H132 Cl6 N12 O15
• Title of publication: Perfect symmetrical cyclic aromatic trimer motif in tripodal molecule
• Authors of publication: Sathiyashivan, Shankar Deval; Kumar, Chakka Kiran; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Masram, Dhanraj T.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 28
• Pages of publication: 17297
• a: 18.62 ± 0.003 Å
• b: 18.62 ± 0.003 Å
• c: 18.075 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5427.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No