Information card for entry 7151291

Structure parameters

• Formula: C34 H39 N O2
• Calculated formula: C34 H39 N O2
• SMILES: O=C1c2ccccc2C2(Oc3cc(N(CCCC)CCCC)ccc3C(=C12)CCCC)c1ccccc1
• Title of publication: Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.
• Authors of publication: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 18
• Pages of publication: 3406 - 3409
• a: 9.471 ± 0.005 Å
• b: 30.489 ± 0.006 Å
• c: 10.734 ± 0.005 Å
• α: 90°
• β: 114.03 ± 0.03°
• γ: 90°
• Cell volume: 2831 ± 2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• 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: 0.11358
• Residual factor for significantly intense reflections: 0.05277
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.16084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No