Information card for entry 7105409

Structure parameters

• Chemical name: 1,3,3-Trimethylspiro[indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine]
• Formula: C22 H20 N2 O
• Calculated formula: C22 H20 N2 O
• SMILES: c12ccc3ccccc3c1N=CC1(C(c3c(cccc3)N1C)(C)C)O2
• Title of publication: Photochromism of spiropyrans and spirooxazines in the solid state: low temperature enhances photocoloration
• Authors of publication: Harada, Jun; Kawazoe, Yuta; Ogawa, Keiichiro
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2593
• a: 17.1642 ± 0.0008 Å
• b: 16.825 ± 0.0008 Å
• c: 12.4068 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3582.9 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No