Crystallography Open Database

Information card for entry 7250458

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Coordinates	7250458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N O5
Calculated formula	C14 H19 N O5
Title of publication	A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid
Authors of publication	Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	23
Pages of publication	3887 - 3890
a	62.5573 ± 0.0016 Å
b	62.5573 ± 0.0016 Å
c	5.6698 ± 0.00014 Å
α	90°
β	90°
γ	120°
Cell volume	19215.6 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.118
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 F_obs	No

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