Information card for entry 1574504

Structure parameters

• Common name: 4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-<i>kl</i>]acridin-1(2<i>H</i>)-one
• Chemical name: 11,11-Dimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.0^2,7^.0^13,16^]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
• Formula: C22 H18 N2 O
• Calculated formula: C22 H18 N2 O
• SMILES: O=C1N(c2ccccc2)C2=CC(Cc3nc4c(c1c23)cccc4)(C)C
• Title of publication: 4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one
• Authors of publication: Islam, Izarul; Kanti Roy, Pijush; Zangrando, Ennio; Gopal Karmaker, Pran; Nath Roy, Harendra
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 4
• Pages of publication: x250361
• a: 9.43 ± 0.003 Å
• b: 9.997 ± 0.004 Å
• c: 10.203 ± 0.004 Å
• α: 99.833 ± 0.014°
• β: 107.559 ± 0.014°
• γ: 106.866 ± 0.014°
• Cell volume: 841.7 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No