Information card for entry 8101652

Structure parameters

• Formula: C19 H15 N O
• Calculated formula: C19 H15 N O
• SMILES: O1C(C=Cc2c1ccc1c2cccn1)(c1ccccc1)C
• Title of publication: Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f </i>]quinoline, C~19~H~15~NO
• Authors of publication: Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Lokshin, Vladimir; Guglielmetti, Robert; Pèpe, Gérard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1998
• Journal volume: 213
• Journal issue: 4
• Pages of publication: 743 - 744
• a: 21.741 ± 0.004 Å
• b: 7.584 ± 0.002 Å
• c: 8.802 ± 0.002 Å
• α: 90°
• β: 97.3 ± 0.03°
• γ: 90°
• Cell volume: 1439.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1158
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No