Information card for entry 7231145

Structure parameters

• Chemical name: 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate
• Formula: C26 H23 N3 O5
• Calculated formula: C26 H23 N3 O5
• Title of publication: In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands
• Authors of publication: Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 39
• Pages of publication: 6061
• a: 22.4072 ± 0.0006 Å
• b: 8.3342 ± 0.0003 Å
• c: 12.0143 ± 0.0004 Å
• α: 90°
• β: 90.452 ± 0.002°
• γ: 90°
• Cell volume: 2243.55 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No