Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227968
Preview
Coordinates | 2227968.cif |
---|---|
Structure factors | 2227968.hkl |
Original IUCr paper | HTML |
Common name | 1,8-Bis(4-aminobenzoyl)-2,7-dimethoxynaphthalene |
---|---|
Chemical name | [8-(4-aminobenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-aminophenyl)methanone |
Formula | C26 H22 N2 O4 |
Calculated formula | C26 H22 N2 O4 |
SMILES | COc1ccc2c(c1C(=O)c1ccc(cc1)N)c(c(cc2)OC)C(=O)c1ccc(cc1)N |
Title of publication | 1,8-Bis(4-aminobenzoyl)-2,7-dimethoxynaphthalene |
Authors of publication | Nishijima, Takahiro; Kataoka, Kotaro; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | o2904 - o2905 |
a | 14.2996 ± 0.0003 Å |
b | 10.2811 ± 0.0002 Å |
c | 15.4306 ± 0.0003 Å |
α | 90° |
β | 114.523 ± 0.001° |
γ | 90° |
Cell volume | 2063.9 ± 0.07 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0462 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.1139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181200 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227968.cif 2227968.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227968.cif 2227968.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227968.cif 2227968.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227968.cif 2227968.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227968.cif 2227968.hkl |
5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227968.cif 2227968.hkl |
5005 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227968 via cif-deposit CGI script. |
2227968.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.