Crystallography Open Database

Information card for entry 2023284

2023283 << 2023284 >> 2023285

Preview

Coordinates	2023284.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline–fumaric acid (1/0.5)
Formula	C22 H23 N O6
Calculated formula	C22 H23 N O6
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	9.05718 ± 0.00012 Å
b	6.71363 ± 0.00011 Å
c	32.8419 ± 0.0004 Å
α	90°
β	95.9308 ± 0.0012°
γ	90°
Cell volume	1986.31 ± 0.05 Å³
Cell temperature	99.99 ± 0.11 K
Ambient diffraction temperature	99.99 ± 0.11 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.0424
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	2023284.cif
295461	2024-10-12	cif/ Adding structures of 2023284, 2023285 via cif-deposit CGI script.	2023284.cif