Crystallography Open Database

Information card for entry 7116507

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Structure parameters

Chemical name	2,3,3,10tetraphenyl3Hbenzo[f]chromene
Formula	C37 H26 O
Calculated formula	C37 H26 O
SMILES	O1c2c(c3c(c4ccccc4)cccc3cc2)C=C(c2ccccc2)C1(c1ccccc1)c1ccccc1
Title of publication	Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans
Authors of publication	Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	3057
a	9.9865 ± 0.0006 Å
b	10.56 ± 0.0007 Å
c	13.7281 ± 0.0008 Å
α	86.2498 ± 0.0007°
β	84.3378 ± 0.0007°
γ	64.127 ± 0.0005°
Cell volume	1295.86 ± 0.14 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 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	0.0399
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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