Information card for entry 2204378
Chemical name |
7a,8,9,10-Tetrahydrobenzo[f]cyclopenta[b]chromen-10-one |
Formula |
C16 H12 O2 |
Calculated formula |
C16 H12 O2 |
SMILES |
O=C1C2=Cc3c4ccccc4ccc3OC2CC1 |
Title of publication |
7a,8,9,10-Tetrahydrobenzo[<i>f</i>]cyclopenta[<i>b</i>]chromen-10-one |
Authors of publication |
Huo, Fangjun; Yin, Caixia; Yang, Pin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
10 |
Pages of publication |
o1671 - o1673 |
a |
15.5021 ± 0.0019 Å |
b |
6.6902 ± 0.0008 Å |
c |
22.676 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2351.8 ± 0.5 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0466 |
Residual factor for significantly intense reflections |
0.0369 |
Weighted residual factors for significantly intense reflections |
0.0918 |
Weighted residual factors for all reflections included in the refinement |
0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2204378.html