Information card for entry 4115213

Structure parameters

• Formula: C19 H13 N O3
• Calculated formula: C19 H13 N O3
• SMILES: Oc1cccc2c(c3ccccc3nc12)c1cc(O)cc(O)c1
• Title of publication: Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification
• Authors of publication: Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12453 - 12462
• a: 7.431 ± 0.004 Å
• b: 9.034 ± 0.007 Å
• c: 21.104 ± 0.004 Å
• α: 90°
• β: 92.42 ± 0.03°
• γ: 90°
• Cell volume: 1415.5 ± 1.4 ų
• Cell temperature: 295.1 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 significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No