Information card for entry 7234400

Structure parameters

• Chemical name: 2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile
• Formula: C23 H17 N3 O
• Calculated formula: C23 H17 N3 O
• SMILES: O(c1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N)C
• Title of publication: Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning
• Authors of publication: P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 8381 - 8388
• a: 34.743 ± 0.007 Å
• b: 6.907 ± 0.0014 Å
• c: 16.066 ± 0.003 Å
• α: 90°
• β: 110.18 ± 0.03°
• γ: 90°
• Cell volume: 3618.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.60999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No