Information card for entry 2004246

Structure parameters

• Chemical name: Dimethyl 1-chloro-4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8c,8d-dicarboxylate
• Formula: C20 H15 Cl O4
• Calculated formula: C20 H15 Cl O4
• SMILES: Clc1cccc2c1[C@]1([C@H]3c4ccccc4[C@@H]2[C@@]13C(=O)OC)C(=O)OC.Clc1cccc2c1[C@@]1([C@@H]3c4ccccc4[C@H]2[C@]13C(=O)OC)C(=O)OC
• Title of publication: Dimethyl 1-Chloro-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8c,8d-dicarboxylate
• Authors of publication: Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2690 - 2691
• a: 9.756 ± 0.001 Å
• b: 10.556 ± 0.001 Å
• c: 8.83 ± 0.001 Å
• α: 107.22 ± 0.01°
• β: 105.31 ± 0.01°
• γ: 95.4 ± 0.01°
• Cell volume: 822.99 ± 0.17 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 4.2
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No