Information card for entry 2005050

Structure parameters

• Common name: Chromene
• Chemical name: 8,8-dimethyl-[8H]-pyrano[3,2-f]quinolene
• Formula: C14 H15 N O2
• Calculated formula: C14 H15 N O2
• SMILES: O1C(C=Cc2c1ccc1ncccc21)(C)C.O
• Title of publication: Photochromic Pyrido-Annelated 2,2-Dimethylchromene
• Authors of publication: Aldoshin, S.; Chuev, I.; Philipenko, O.; Pozzo, J. L.; Lokshin, V.; Pèpe, G.; Samat, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1537 - 1539
• a: 23.123 ± 0.004 Å
• b: 11.484 ± 0.002 Å
• c: 9.22 ± 0.001 Å
• α: 90°
• β: 95.05 ± 0.03°
• γ: 90°
• Cell volume: 2438.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for all reflections: 0.957
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No