Information card for entry 7105408

Structure parameters

• Chemical name: 1,3,3-Trimethylspiro[indoline-2,3'-[3H]-naphtho[2,1-b]pyran]
• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• SMILES: c12ccc3ccccc3c1C=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: 14.5329 ± 0.0007 Å
• b: 6.2561 ± 0.0003 Å
• c: 19.3262 ± 0.001 Å
• α: 90°
• β: 103.547 ± 0.001°
• γ: 90°
• Cell volume: 1708.24 ± 0.15 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No