Information card for entry 7227339

Structure parameters

• Formula: C16 H10 N2 O
• Calculated formula: C16 H10 N2 O
• SMILES: O=C1C(=Nc2c1cccc2)c1c2ccccc2[nH]c1
• Title of publication: TEMPO-catalyzed oxidative homocoupling route to 3,2′-biindolin-2-ones via an indolin-3-one intermediate
• Authors of publication: Yin, Bo; Huang, Panpan; Lu, Yingbing; Liu, Liangxian
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 606
• a: 24.4406 ± 0.0008 Å
• b: 4.3182 ± 0.0002 Å
• c: 11.0826 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1169.65 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No