Information card for entry 2108944
Common name
4,11-Difluoro-quinacridone, alpha-phase
Chemical name
4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, alpha-phase
Formula
C20 H10 F2 N2 O2
Calculated formula
C20 H10 F2 N2 O2
Title of publication
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions
Authors of publication
Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U.
Journal of publication
Acta Crystallographica Section B
Year of publication
2022
Journal volume
78
Journal issue
2
a
14.2169 ± 0.0017 Å
b
3.76791 ± 0.00022 Å
c
13.7214 ± 0.0015 Å
α
90°
β
102.298 ± 0.014°
γ
90°
Cell volume
718.16 ± 0.13 Å3
Cell temperature
300 K
Ambient diffraction temperature
300 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.02618
Goodness-of-fit parameter for all reflections
4.402
Method of determination
powder diffraction
Diffraction radiation wavelength
1.54056 Å
Diffraction radiation type
CuKα~1~
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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