Crystallography Open Database

Information card for entry 8104796

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Coordinates	8104796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N O9
Calculated formula	C23 H25 N O9
Title of publication	Crystal structure of 2, 3-bis((4-methylbenzoyl)oxy) succinic acid–N, N-dimethylformamide (1/1), C23H25NO9
Authors of publication	Zhang, Xianping; Feng, Sisi; Lu, Liping
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	667 - 669
a	15.8641 ± 0.0006 Å
b	11.123 ± 0.0004 Å
c	13.0925 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2310.26 ± 0.15 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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