Information card for entry 7120940

Structure parameters

• Formula: C58 H79 Cl3 O3 S12
• Calculated formula: C58 H79 Cl3 O3 S12
• Title of publication: Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C₃ symmetric molecule.
• Authors of publication: Shivakumar, Kilingaru I.; Goudappagouda, ?; Gonnade, Rajesh G.; Babu, Sukumaran Santhosh; Sanjayan, Gangadhar J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 212 - 215
• a: 9.9099 ± 0.0006 Å
• b: 17.0949 ± 0.0011 Å
• c: 19.824 ± 0.0013 Å
• α: 111.191 ± 0.001°
• β: 99.814 ± 0.001°
• γ: 94.463 ± 0.001°
• Cell volume: 3049.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No