Information card for entry 4113360

Structure parameters

• Formula: C18 H13 N O4
• Calculated formula: C18 H13 N O4
• SMILES: O(C(=O)c1c2n3c(ccc2)c2ccccc2c3c1C(=O)OC)C
• 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: 6.9285 ± 0.0014 Å
• b: 19.129 ± 0.004 Å
• c: 11.109 ± 0.002 Å
• α: 90°
• β: 99.456 ± 0.004°
• γ: 90°
• Cell volume: 1452.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No