Information card for entry 1503189

Structure parameters

• Formula: C23 H15 N O
• Calculated formula: C23 H15 N O
• SMILES: o1c2nc3c(c2c(cc1c1ccccc1)c1ccccc1)cccc3
• Title of publication: Insertion-coupling-cycloisomerization domino synthesis and cation-induced halochromic fluorescence of 2,4-diarylpyrano[2,3-b]indoles.
• Authors of publication: Schönhaber, Jan; Frank, Walter; Müller, Thomas J J
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4122 - 4125
• a: 10.1003 ± 0.0006 Å
• b: 17.6993 ± 0.001 Å
• c: 10.2661 ± 0.0006 Å
• α: 90°
• β: 115.709 ± 0.006°
• γ: 90°
• Cell volume: 1653.58 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No