Information card for entry 4113361

Structure parameters

• Formula: C19 H12 N2
• Calculated formula: C19 H12 N2
• SMILES: n12c3cccc1c1ccccc1c2cc3c1ncccc1
• Title of publication: Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles
• Authors of publication: Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16793 - 16803
• a: 3.8634 ± 0.0003 Å
• b: 14.7292 ± 0.001 Å
• c: 22.3403 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.27 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No