Information card for entry 4115205

Structure parameters

• Formula: C25 H19 N O2
• Calculated formula: C25 H19 N O2
• SMILES: Oc1cc(c2c3ccccc3nc3ccccc23)cc(O)c1.c1ccccc1
• 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: 8.866 ± 0.002 Å
• b: 14.024 ± 0.002 Å
• c: 15.393 ± 0.001 Å
• α: 90°
• β: 99.34 ± 0.01°
• γ: 90°
• Cell volume: 1888.5 ± 0.5 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: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No