Crystallography Open Database

Information card for entry 7057578

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Coordinates	7057578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O10
Calculated formula	C14 H10 O10
Title of publication	Phase transition and molecular assembly structure of ellagic acid ester derivatives
Authors of publication	Tokutomi, Hisashi; Wu, JianYun; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	14700
a	4.60137 ± 0.00012 Å
b	7.6252 ± 0.0002 Å
c	9.3955 ± 0.0002 Å
α	101.958 ± 0.0019°
β	96.9215 ± 0.0017°
γ	103.461 ± 0.0019°
Cell volume	308.669 ± 0.014 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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