Information card for entry 7060800

Structure parameters

• Common name: 5-(4,5-Diphenyloxazol-2-yl)-N,N,1',3',3'-pentamethylspiro[benzo[f]chromene-3,2'-indolin]-5'-amine
• Chemical name: 5-(4,5-Diphenyloxazol-2-yl)-N,N,1',3',3'-pentamethylspiro[benzo[f]chromene-3,2'-indolin]-5'-amine
• Formula: C40 H35 N3 O2
• Calculated formula: C40 H35 N3 O2
• Title of publication: Photo-controlled bipolar absorption switches based on 5-dimethylamino substituted indoline spiropyrans with semipermanent merocyanines
• Authors of publication: Metelitsa, Anatoly V.; Chernyshev, Anatoly V.; Voloshin, Nikolai; Demidov, Oleg P.; Solov'eva, Ekaterina; Rostovtseva, Irina A.; Gaeva, Elena
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 13529 - 13538
• a: 8.5067 ± 0.0003 Å
• b: 13.2176 ± 0.0005 Å
• c: 14.2579 ± 0.0006 Å
• α: 77.789 ± 0.003°
• β: 74.227 ± 0.003°
• γ: 85.006 ± 0.003°
• Cell volume: 1507.12 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No