Crystallography Open Database

Information card for entry 7132442

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Coordinates	7132442.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HOF_C
Formula	C54 H78 N13 O36
Calculated formula	C54 H44 N13 O19
Title of publication	Photoinduced radical formation in hydrogen-bonded organic frameworks.
Authors of publication	Almuhana, Asia R. Y.; Orton, Georgia R. F.; Rosenberg, Callum; Champness, Neil R.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	4
Pages of publication	452 - 455
a	7.843 ± 0.0004 Å
b	19.3052 ± 0.0012 Å
c	23.3588 ± 0.0007 Å
α	88.568 ± 0.005°
β	81.294 ± 0.004°
γ	86.534 ± 0.005°
Cell volume	3489.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3195
Residual factor for significantly intense reflections	0.1372
Weighted residual factors for significantly intense reflections	0.3187
Weighted residual factors for all reflections included in the refinement	0.3727
Goodness-of-fit parameter for all reflections included in the refinement	0.802
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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