Information card for entry 2001869

Structure parameters

• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• SMILES: O1[C@]23N(c4ccccc4C2(C)C)CCO[C@H]3Nc2c1ccc1c2cccc1.O1[C@@]23N(c4ccccc4C2(C)C)CCO[C@@H]3Nc2c1ccc1c2cccc1
• Title of publication: Structure of an organic photochromic compound. 6,7,8a,9-Tetrahydro-17,17-dimethylnaphtho[1'',2'':5',6'][1,4]oxazino[3',2':2,3][1,4]oxazino[4,3-<i>a</i>][3<i>H</i>]indole
• Authors of publication: Hu, A. T.; Wang, M.-S.; Wang, S.-L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 509 - 511
• a: 13.215 ± 0.003 Å
• b: 9.321 ± 0.001 Å
• c: 15.6 ± 0.004 Å
• α: 90°
• β: 105.68 ± 0.02°
• γ: 90°
• Cell volume: 1850.1 ± 0.7 ų
• 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No