Information card for entry 7035734

Structure parameters

• Formula: C29 H22 N2 O
• Calculated formula: C29 H22 N2 O
• SMILES: Oc1c(cc(cc1/C=N/c1c2ccccc2ccc1)C)/C=N/c1c2c(cccc2)ccc1
• Title of publication: Sn(ii) induced concentration dependent dynamic to static excimer conversion of a conjugated naphthalene derivative.
• Authors of publication: Adhikari, Susanta; Mandal, Sandip; Ghosh, Avijit; Guria, Subhajit; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14388 - 14393
• a: 17.662 ± 0.01 Å
• b: 16.526 ± 0.009 Å
• c: 7.599 ± 0.004 Å
• α: 90°
• β: 97.592 ± 0.009°
• γ: 90°
• Cell volume: 2199 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.144
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No