Crystallography Open Database

Information card for entry 2011670

2011669 << 2011670 >> 2011671

Preview

Coordinates	2011670.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	13,13a-Dihydro-9-methyl-13-methoxy-1-benzopyrano[4,3-i]- dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3,3,1]nonane
Formula	C32 H24 O4
Calculated formula	C32 H24 O4
SMILES	c1cccc2ccc3c(c12)C1[C@H]2C(O3)(c3cc(ccc3O[C@@H]2OC)C)Oc2c1c1ccccc1cc2.c1cccc2ccc3c(c12)C1[C@@H]2C(O3)(c3cc(ccc3O[C@H]2OC)C)Oc2c1c1ccccc1cc2
Title of publication	13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-<i>i</i>]dinaphtho[2,1-<i>c</i>;1',2'-<i>f</i>]-2,8-dioxabicyclo[3.3.1]nonane
Authors of publication	Sahana, Sirin; Bandyopadhyay, Chandrakanta; Chaudhuri, Siddhartha
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	12
Pages of publication	1450 - 1451
a	10.191 ± 0.007 Å
b	10.963 ± 0.01 Å
c	12.621 ± 0.0011 Å
α	102.23 ± 0.06°
β	114.58 ± 0.03°
γ	100.64 ± 0.06°
Cell volume	1192.7 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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