Crystallography Open Database

Information card for entry 2023285

2023284 << 2023285 >> 2023286

Preview

Coordinates	2023285.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline–fumaric acid (1/1.5)
Formula	C26 H27 N O10
Calculated formula	C26 H27 N O10
Title of publication	Crystal structures of two different multi-component crystals consisting of 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline and fumaric acid
Authors of publication	Shibata, Hiroki; Sakon, Aya; Takata, Noriyuki; Takiyama, Hiroshi
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1146 - 1150
a	9.529 ± 0.0002 Å
b	10.5445 ± 0.0003 Å
c	12.6509 ± 0.0004 Å
α	91.606 ± 0.002°
β	104.98 ± 0.002°
γ	97.823 ± 0.002°
Cell volume	1213.86 ± 0.06 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 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	0.0599
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296780 (current)	2024-12-07	cif/ Updating files of 2023284, 2023285 Original log message: Adding full bibliography for 2023284--2023285.cif.	2023285.cif
295461	2024-10-12	cif/ Adding structures of 2023284, 2023285 via cif-deposit CGI script.	2023285.cif