Crystallography Open Database

Information card for entry 2204637

2204636 << 2204637 >> 2204638

Preview

Structure parameters

Chemical name	10-Cyclopropyl-9-(3-methoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
Formula	C27 H33 N O4
Calculated formula	C27 H33 N O4
SMILES	O=C1C2=C(N(C3=C(C2c2cc(OC)c(O)cc2)C(=O)CC(C3)(C)C)C2CC2)CC(C1)(C)C
Title of publication	10-Cyclopropyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
Authors of publication	Shujiang Tu; Xiaojing Zhang; Jianin Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o2328 - o2330
a	9.6559 ± 0.0011 Å
b	14.983 ± 0.0016 Å
c	16.5393 ± 0.0019 Å
α	90°
β	102.754 ± 0.002°
γ	90°
Cell volume	2333.8 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.0791
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.