Information card for entry 7231296

Structure parameters

• Formula: C44 H50 N2 O6
• Calculated formula: C44 H50 N2 O6
• Title of publication: The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites
• Authors of publication: Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 39
• Pages of publication: 6054
• a: 4.2348 ± 0.0019 Å
• b: 51.591 ± 0.019 Å
• c: 8.261 ± 0.003 Å
• α: 90°
• β: 93.622 ± 0.011°
• γ: 90°
• Cell volume: 1801.2 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No