Information card for entry 1548055

Structure parameters

• Formula: C27 H19 N
• Calculated formula: C27 H19 N
• SMILES: c1cccc2c1C(=C1c3ccccc3N(c3ccccc13)C)c1ccccc21
• Title of publication: A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.
• Authors of publication: Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 475 - 482
• a: 8.5137 ± 0.0002 Å
• b: 21.963 ± 0.0006 Å
• c: 9.8776 ± 0.0003 Å
• α: 90°
• β: 104.406 ± 0.0017°
• γ: 90°
• Cell volume: 1788.9 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No