Information card for entry 8102512

Structure parameters

• Chemical name: Crystal structure of dimethyl 5-(acridin-9-yloxy)isophthalate, C~23~H~17~NO~4~
• Formula: C24 H21 N O6
• Calculated formula: C24 H21 N O6
• SMILES: O(c1c2c(nc3ccccc13)cccc2)c1cc(cc(c1)C(=O)OC)C(=O)OC.CO
• Title of publication: Crystal structure of dimethyl 5-(acridin-9-yloxy)isophthalate — methanol (1:1), C23H17NO5 · CH3OH
• Authors of publication: M. Belen Jimenez; Francisca Sanz Gonzalez; M. Cruz Caballero
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 603
• a: 8.681 ± 0.0017 Å
• b: 9.769 ± 0.002 Å
• c: 13.214 ± 0.003 Å
• α: 71.34 ± 0.03°
• β: 78.45 ± 0.03°
• γ: 77.18 ± 0.03°
• Cell volume: 1025.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No