Information card for entry 4505251

Structure parameters

• Common name: ethoxynitrospiropyran 1b
• Chemical name: 3',3'-dimethyl-6-Ethoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran-2,2'-indoline
• Formula: C26 H24 N2 O4
• Calculated formula: C26 H24 N2 O4
• Title of publication: Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†
• Authors of publication: Vary, Michael W.; McBride, J. Michael
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2036
• a: 8.26 ± 0.003 Å
• b: 17.21 ± 0.005 Å
• c: 8.341 ± 0.004 Å
• α: 90°
• β: 105.36 ± 0.04°
• γ: 90°
• Cell volume: 1143.4 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No