Crystallography Open Database

Information card for entry 7248347

Preview

Coordinates	7248347.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	11.8077 ± 0.001 Å
b	15.022 ± 0.0012 Å
c	19.3471 ± 0.0017 Å
α	98.973 ± 0.003°
β	104.421 ± 0.003°
γ	111.029 ± 0.003°
Cell volume	2985.8 ± 0.4 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	0.1867
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.224
Weighted residual factors for all reflections included in the refinement	0.2974
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248347.html