Information card for entry 7229304

Structure parameters

• Chemical name: Bis-3-methoxy triphenylamine-dicyanophenyl
• Formula: C107 H84 N8 O4
• Calculated formula: C107 H84 N8 O4
• Title of publication: Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing
• Authors of publication: Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.743 ± 0.0019 Å
• b: 8.591 ± 0.0017 Å
• c: 48.988 ± 0.01 Å
• α: 90°
• β: 93.39 ± 0.03°
• γ: 90°
• Cell volume: 4093.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No