Information card for entry 4020627

Structure parameters

• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• SMILES: N12c3ccccc3C(C1(Oc1ccc(cc1C2)N(=O)=O)C)(C)C
• Title of publication: Fast and Stable Photochromic Oxazines
• Authors of publication: Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8180 - 8189
• a: 8.1728 ± 0.0005 Å
• b: 17.7129 ± 0.0009 Å
• c: 11.0657 ± 0.0006 Å
• α: 90°
• β: 101.171 ± 0.005°
• γ: 90°
• Cell volume: 1571.56 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No