Information card for entry 7248117

Structure parameters

• Formula: C23 H21 N3 O
• Calculated formula: C23 H21 N3 O
• SMILES: OC.n1cc(ccc1)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
• Title of publication: Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane
• Authors of publication: Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1438 - 1443
• a: 14.5277 ± 0.0005 Å
• b: 9.4021 ± 0.0004 Å
• c: 15.0821 ± 0.0006 Å
• α: 90°
• β: 112.559 ± 0.001°
• γ: 90°
• Cell volume: 1902.45 ± 0.13 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0964
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No