Information card for entry 7210466

Structure parameters

• Common name: 1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane
• Chemical name: 1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane
• Formula: C28 H22 N2
• Calculated formula: C28 H22 N2
• SMILES: c12ccccc1c1ccccc1n2CC(=C)Cn1c2ccccc2c2ccccc12
• Title of publication: An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels
• Authors of publication: Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2039
• a: 9.3786 ± 0.0017 Å
• b: 23.547 ± 0.004 Å
• c: 18.543 ± 0.003 Å
• α: 90°
• β: 90.617 ± 0.003°
• γ: 90°
• Cell volume: 4094.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No