Crystallography Open Database

Information card for entry 7248187

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Coordinates	7248187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 O6
Calculated formula	C11 H10 O6
Title of publication	Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns
Authors of publication	Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	14
Pages of publication	1952 - 1961
a	11.142 ± 0.0014 Å
b	6.8138 ± 0.0008 Å
c	13.6024 ± 0.0017 Å
α	90°
β	102.714 ± 0.004°
γ	90°
Cell volume	1007.4 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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