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Information card for entry 4505742
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Coordinates | 4505742.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R,S)-Cyclo-bis(2-amino-7-cyanoindan-4-methoxy-2-carboxylic acid) |
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Formula | C30 H38 N4 O7 S3 |
Calculated formula | C30 H38 N4 O7 S3 |
Title of publication | Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid |
Authors of publication | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2003 |
Journal volume | 3 |
Journal issue | 5 |
Pages of publication | 811 |
a | 21.156 ± 0.003 Å |
b | 8.8635 ± 0.001 Å |
c | 18.64 ± 0.002 Å |
α | 90° |
β | 110.286 ± 0.002° |
γ | 90° |
Cell volume | 3278.5 ± 0.7 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0782 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1118 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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