Crystallography Open Database

Information card for entry 7248346

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Coordinates	7248346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 N4 O6
Calculated formula	C33 H36 N4 O6
Title of publication	Bilirubin and its crystal forms
Authors of publication	Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	16
Pages of publication	2136 - 2142
a	11.663 ± 0.0007 Å
b	15.3457 ± 0.0008 Å
c	17.2204 ± 0.001 Å
α	73.515 ± 0.002°
β	81.274 ± 0.003°
γ	82.823 ± 0.003°
Cell volume	2910.2 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1243
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2681
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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