Information card for entry 7151293

Structure parameters

• Formula: C34 H33 N O2 S
• Calculated formula: C34 H33 N O2 S
• SMILES: s1c(C2c3c(OC4(c5c(C(=O)C=24)cccc5)c2ccccc2)cc(N(CCCC)CCCC)cc3)ccc1
• 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: 11.009 ± 0.002 Å
• b: 13.949 ± 0.005 Å
• c: 9.752 ± 0.002 Å
• α: 97.99 ± 0.02°
• β: 101.46 ± 0.02°
• γ: 72.82 ± 0.02°
• Cell volume: 1397.1 ± 0.7 ų
• Cell temperature: 296.2 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: 0.15428
• Residual factor for significantly intense reflections: 0.08277
• Weighted residual factors for significantly intense reflections: 0.20434
• Weighted residual factors for all reflections included in the refinement: 0.22675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.779
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No