Information card for entry 7239334

Structure parameters

• Formula: C29 H20 N2
• Calculated formula: C29 H20 N2
• Title of publication: Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles ‒ effect of solvent polarity
• Authors of publication: Thanikachalam, V.; Arunpandiyan, A.; Jayabharathi, J.; Ramanathan, P.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 6790
• a: 15.2615 ± 0.0009 Å
• b: 16.0717 ± 0.0007 Å
• c: 16.9595 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4159.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No