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Information card for entry 7212771
Preview
Coordinates | 7212771.cif |
---|---|
Original paper (by DOI) | HTML |
External links | PubChem |
Formula | C19 H12 N2 O2 |
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Calculated formula | C19 H12 N2 O2 |
SMILES | c12c(cccc1)C(=O)N(c1ccncc1)C(=O)c1c2cccc1 |
Title of publication | Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source |
Authors of publication | Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3483 |
a | 3.9147 ± 0.0007 Å |
b | 22.823 ± 0.004 Å |
c | 15.634 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1396.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.1492 |
Residual factor for significantly intense reflections | 0.133 |
Weighted residual factors for significantly intense reflections | 0.2422 |
Weighted residual factors for all reflections included in the refinement | 0.2483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.278 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7212771.cif |
180458 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27. |
7212771.cif |
93271 | 2014-01-12 | cif/ Adding structures of 7212769, 7212770, 7212771 via cif-deposit CGI script. |
7212771.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.