Crystallography Open Database

Information card for entry 7227405

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Coordinates	7227405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H62 N3 O13 P3
Calculated formula	C36 H62 N3 O13 P3
Title of publication	Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates
Authors of publication	Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	7
Pages of publication	1058
a	18.824 ± 0.011 Å
b	34.1 ± 0.02 Å
c	16.321 ± 0.011 Å
α	90°
β	91.078 ± 0.011°
γ	90°
Cell volume	10475 ± 11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2416
Weighted residual factors for all reflections included in the refinement	0.271
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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