Information card for entry 2001642

Structure parameters

• Formula: C30 H22 N2 O3
• Calculated formula: C30 H22 N2 O3
• SMILES: O=C1c2ccccc2C(=O)c2c1c1ccc3c(c1cc2)N=CC1(O3)N(C)c2c(C1(C)C)cccc2
• Title of publication: Structure of photochromic spiroxazines. II. 1',3',3'-Trimethylspiro{anthra[2,1-<i>f</i>][1,4]benzoxazine-2,2'-indoline}-7,12-dione
• Authors of publication: Millini, R.; Del Piero, G.; Allegrini, P.; Malatesta, V.; Castaldi, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1205 - 1207
• a: 21.778 ± 0.003 Å
• b: 16.707 ± 0.002 Å
• c: 12.367 ± 0.002 Å
• α: 90°
• β: 97.89 ± 0.03°
• γ: 90°
• Cell volume: 4457.1 ± 1.1 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No