Information card for entry 7151292

Structure parameters

• Formula: C36 H35 N O2
• Calculated formula: C36 H35 N O2
• SMILES: O=C1c2ccccc2C2(Oc3cc(N(CCCC)CCCC)ccc3C(=C12)c1ccccc1)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: 20.947 ± 0.007 Å
• b: 31.759 ± 0.007 Å
• c: 8.758 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5826 ± 5 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.19307
• Residual factor for significantly intense reflections: 0.05528
• Weighted residual factors for significantly intense reflections: 0.10825
• Weighted residual factors for all reflections included in the refinement: 0.18927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No