Information card for entry 8100632

Structure parameters

• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• SMILES: O1c2ccc3ccccc3c2C=C(C1C(=O)OC)C(=O)OC
• Title of publication: Crystal structure of dimethyl 3H-naphtho[2,1,b]pyran-2,3-dicarboxylate, C~17~H~14~O~5~
• Authors of publication: Ramazani, Ali; Noshiranzadeh, Nader; Kaffashy, Sodabeh; Morsali, Ali; Jamali, Fahimeh; Gouranlou, Farideh
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 231 - 232
• a: 7.069 ± 0.002 Å
• b: 21.094 ± 0.006 Å
• c: 9.721 ± 0.003 Å
• α: 90°
• β: 102.56 ± 0.02°
• γ: 90°
• Cell volume: 1414.7 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• 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